Abstract
C16H21O8N2F6Re, triclinic, P1̅, a = 9.161(5) Å, b = 10.283(5) Å, c = 12.974(5) Å, α = 87.739(5)°, β = 78.339(5)°, γ = 75.047(5)°, V = 1156.3(10) Å3, Z = 2, Rgt(F) = 0.037, wRref(F2) = 0.1012, T = 100(2) K.

The crystal structure is shown in the figure. Tables 1–3 contain details of the measurement method and a list of the atoms including atomic coordinates and displacement parameters.
Source of material
fac-[NEt4]2[Re(CO)3Br3] (500 mg; 0.649 mmol) was dissolved in water (10 ml) at pH 2.2 and AgNO3 (331 mg; 1.947 mmol) was added. The solution was stirred overnight for 16 hours at room temperature and the precipitated AgBr was filtered off and weighed (367 mg; 1.955 mmol). Hexafluoroacetylacetone (0.135 g; 0.649 mmol) was added to the solution and stirred for 24 hours at room temperature. The orange precipitate, fac-[NEt4]2[Re(Hfaa)(CO)3NO3], was filtered off, washed, dried and weighed. (Yield: 274 mg; 86%). Crystals of the title complex was obtained from crystallization of the precipitate in MeOH. Yield = 148 mg; 40%. IR (KBr, cm−1): νCO (2023, 1880).
Experimental details
In the structure all the H atoms were positioned geometrically and refined discernible using a riding model, with C—Hmethine = 0.98 Å; C—Hmethyl = 0.96 Å; C—Haromatic = 0.93 Å. The H atom isotropic displacement parameters were fixed; Uiso(H) = 1.2Ueq(C) for aromatic and methine and Uiso(H) = 1.5Ueq(C) for methyl protons, allowing them to ride on the parent atom. The CF3 substituents on the beta-diketone backbone are both structurally disordered, as manifested by the fluoro-atoms on both carbons (C4 and C8), occupying six positions on each carbon with occupancies of 0.181(16) (for F4A, F5A and F6A) and 0.819(16) (for F4B, F5B and F6B) on C4, and 0.724(13) (for F1A, F2A and F3A) and 0.276(13) (for F1B, F2B and F3B) on C8 [1]. In one case, F1A, F2A and F3A displays the dominant occupancy, and in the other case, F4B, F5B and F6B.
Data collection and handling.
| Crystal: | Orange, plate, size 0.14×0.27×0.69 mm |
| Wavelength: | Mo Kα radiation (0.71073 Å) |
| μ: | 53.46 cm−1 |
| Diffractometer, scan mode: | Bruker APEX-II CCD, φ and ω scans |
| 2θmax: | 56° |
| N(hkl)measured, N(hkl)unique: | 21687, 5560 |
| N(param)refined: | 330 |
| Programs: | Bruker data collection and reduction software [17], SHELX [18], Diamond [19] |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).
| Atom | Site | x | y | z | Uiso |
|---|---|---|---|---|---|
| H(01A) | 2i | 0.4537 | 0.9446 | 0.7245 | 0.084 |
| H(01B) | 2i | 0.4703 | 0.7893 | 0.7027 | 0.084 |
| H(02A) | 2i | 0.3258 | 0.9221 | 0.5921 | 0.156 |
| H(02B) | 2i | 0.2039 | 0.9984 | 0.6911 | 0.156 |
| H(02C) | 2i | 0.2202 | 0.8427 | 0.6695 | 0.156 |
| H(03A) | 2i | 0.5235 | 0.9029 | 0.8876 | 0.072 |
| H(03B) | 2i | 0.4348 | 0.8261 | 0.9783 | 0.072 |
| H(04A) | 2i | 0.6784 | 0.6916 | 0.9126 | 0.114 |
| H(04B) | 2i | 0.6423 | 0.6993 | 0.7965 | 0.114 |
| H(04C) | 2i | 0.5524 | 0.6218 | 0.8868 | 0.114 |
| H(05A) | 2i | 0.1275 | 0.9947 | 0.8666 | 0.079 |
| H(05B) | 2i | 0.1934 | 0.9689 | 0.9724 | 0.079 |
| H(6) | 2i | 1.1995 | 0.3337 | 0.5807 | 0.071 |
| H(06A) | 2i | 0.1909 | 1.1849 | 0.9133 | 0.137 |
| H(06B) | 2i | 0.2997 | 1.1261 | 0.8039 | 0.137 |
| H(06C) | 2i | 0.3650 | 1.1007 | 0.9104 | 0.137 |
| H(07A) | 2i | 0.1682 | 0.7703 | 0.8281 | 0.074 |
| H(07B) | 2i | 0.3307 | 0.6637 | 0.8222 | 0.074 |
| H(08A) | 2i | 0.1573 | 0.6306 | 0.9710 | 0.114 |
| H(08B) | 2i | 0.1366 | 0.7806 | 1.0112 | 0.114 |
| H(08C) | 2i | 0.2985 | 0.6716 | 1.0044 | 0.114 |
Atomic displacement parameters (Å2).
| Atom | Site | x | y | z | U11 | U22 | U33 | U12 | U13 | U23 |
|---|---|---|---|---|---|---|---|---|---|---|
| C(1) | 2i | 0.5582(6) | 0.3619(5) | 0.8038(5) | 0.043(3) | 0.048(3) | 0.063(4) | −0.017(2) | −0.009(2) | 0.000(2) |
| C(01) | 2i | 0.3963(8) | 0.8743(7) | 0.7315(5) | 0.074(4) | 0.073(4) | 0.056(4) | −0.019(3) | 0.007(3) | 0.000(3) |
| C(02) | 2i | 0.276(1) | 0.913(1) | 0.6653(6) | 0.109(6) | 0.142(8) | 0.057(5) | −0.021(6) | −0.026(4) | 0.010(5) |
| C(2) | 2i | 0.5836(6) | 0.2237(6) | 0.6348(5) | 0.038(2) | 0.057(3) | 0.054(3) | −0.012(2) | −0.011(2) | −0.010(2) |
| C(3) | 2i | 0.6244(7) | 0.4713(6) | 0.6171(5) | 0.060(3) | 0.056(3) | 0.062(4) | −0.021(3) | −0.010(3) | −0.013(3) |
| C(03) | 2i | 0.4746(7) | 0.8269(7) | 0.9015(6) | 0.048(3) | 0.071(4) | 0.067(4) | −0.026(3) | −0.008(3) | −0.007(3) |
| C(04) | 2i | 0.5976(7) | 0.6988(8) | 0.8718(6) | 0.055(3) | 0.085(5) | 0.083(5) | −0.008(3) | −0.015(3) | 0.003(4) |
| C(4) | 2i | 1.1449(6) | 0.1871(6) | 0.4436(5) | 0.052(3) | 0.097(5) | 0.049(4) | −0.022(3) | 0.003(3) | −0.005(3) |
| C(5) | 2i | 1.0367(6) | 0.2566(6) | 0.5414(5) | 0.043(3) | 0.060(3) | 0.051(3) | −0.014(2) | −0.008(2) | 0.004(2) |
| C(05) | 2i | 0.2219(6) | 0.9826(6) | 0.8958(6) | 0.045(3) | 0.070(4) | 0.078(4) | −0.013(3) | −0.002(3) | −0.017(3) |
| C(6) | 2i | 1.0955(6) | 0.3294(6) | 0.6025(5) | 0.042(3) | 0.068(4) | 0.073(4) | −0.026(3) | −0.003(3) | −0.001(3) |
| C(06) | 2i | 0.2739(8) | 1.1095(7) | 0.8794(8) | 0.071(4) | 0.056(4) | 0.137(7) | −0.014(3) | 0.005(4) | −0.017(4) |
| C(07) | 2i | 0.2597(7) | 0.7437(6) | 0.8612(5) | 0.061(3) | 0.070(4) | 0.064(4) | −0.035(3) | −0.011(3) | −0.004(3) |
| C(7) | 2i | 1.0102(6) | 0.3960(5) | 0.6936(5) | 0.040(2) | 0.044(3) | 0.074(4) | −0.020(2) | −0.020(2) | 0.004(2) |
| C(8) | 2i | 1.0844(6) | 0.4718(5) | 0.7556(5) | 0.053(3) | 0.066(4) | 0.090(5) | −0.028(3) | −0.028(3) | −0.002(3) |
| C(08) | 2i | 0.2087(8) | 0.7032(7) | 0.9714(6) | 0.077(4) | 0.090(5) | 0.071(4) | −0.048(4) | −0.007(3) | 0.008(4) |
| O(1) | 2i | 0.4603(5) | 0.3911(4) | 0.8766(3) | 0.052(2) | 0.076(3) | 0.058(3) | −0.009(2) | 0.002(2) | −0.010(2) |
| O(2) | 2i | 0.4997(5) | 0.1721(4) | 0.6065(4) | 0.054(2) | 0.076(3) | 0.081(3) | −0.030(2) | −0.023(2) | −0.011(2) |
| O(3) | 2i | 0.5665(6) | 0.5684(5) | 0.5790(5) | 0.103(4) | 0.055(3) | 0.098(4) | −0.021(3) | −0.043(3) | 0.012(2) |
| O(4) | 2i | 0.9038(4) | 0.2418(4) | 0.5546(3) | 0.044(2) | 0.065(2) | 0.053(2) | −0.026(2) | 0.003(2) | −0.011(2) |
| O(5) | 2i | 0.8730(4) | 0.4011(4) | 0.7371(3) | 0.047(2) | 0.057(2) | 0.063(2) | −0.021(2) | −0.017(2) | −0.010(2) |
| O(6) | 2i | 0.8553(4) | 0.1418(4) | 0.7514(3) | 0.036(2) | 0.059(2) | 0.066(3) | −0.019(2) | −0.009(2) | −0.002(2) |
| O(7) | 2i | 0.8915(5) | −0.0401(4) | 0.8417(4) | 0.061(2) | 0.074(3) | 0.071(3) | −0.008(2) | −0.023(2) | 0.010(2) |
| O(8) | 2i | 0.6642(5) | 0.0597(5) | 0.8210(5) | 0.045(2) | 0.087(3) | 0.143(5) | −0.031(2) | −0.016(3) | 0.048(3) |
| Re(1) | 2i | 0.71603(2) | 0.31160(2) | 0.68294(2) | 0.0353(1) | 0.0490(1) | 0.0498(2) | −0.01844(9) | −0.00744(9) | −0.00651(9) |
| N(1) | 2i | 0.8010(5) | 0.0508(5) | 0.8057(4) | 0.046(2) | 0.054(3) | 0.051(3) | −0.015(2) | −0.009(2) | −0.004(2) |
| N(2) | 2i | 0.3380(5) | 0.8555(4) | 0.8471(4) | 0.042(2) | 0.047(2) | 0.051(3) | −0.015(2) | −0.002(2) | −0.006(2) |
| F(4A) | 2i | 1.214(2) | 0.066(1) | 0.462(2) | 0.12(2) | 0.09(2) | 0.11(2) | −0.05(1) | 0.06(2) | −0.02(1) |
| F(5A) | 2i | 1.250(2) | 0.248(2) | 0.407(2) | 0.12(2) | 0.09(2) | 0.11(2) | −0.05(1) | 0.06(2) | −0.02(1) |
| F(6A) | 2i | 1.072(2) | 0.185(2) | 0.371(1) | 0.09(2) | 0.07(2) | 0.04(1) | −0.02(1) | 0.01(1) | −0.01(1) |
| F(4B) | 2i | 1.2884(6) | 0.1452(8) | 0.4508(6) | 0.064(3) | 0.140(7) | 0.104(5) | 0.004(3) | 0.004(3) | −0.030(5) |
| F(5B) | 2i | 1.145(1) | 0.267(1) | 0.3644(6) | 0.21(1) | 0.22(1) | 0.067(5) | 0.069(9) | 0.040(6) | 0.059(6) |
| F(6B) | 2i | 1.1100(9) | 0.083(1) | 0.4175(8) | 0.135(8) | 0.25(1) | 0.21(1) | −0.134(8) | 0.104(7) | −0.18(1) |
| F(1A) | 2i | 1.0885(8) | 0.4265(9) | 0.8521(6) | 0.089(4) | 0.177(7) | 0.130(5) | −0.075(4) | −0.032(3) | −0.039(4) |
| F(2A) | 2i | 1.2252(7) | 0.4748(9) | 0.7140(6) | 0.089(4) | 0.177(7) | 0.130(5) | −0.075(4) | −0.032(3) | −0.039(4) |
| F(3A) | 2i | 1.0077(7) | 0.5976(5) | 0.7744(7) | 0.090(5) | 0.042(3) | 0.21(1) | −0.006(3) | −0.091(6) | −0.026(4) |
| F(1B) | 2i | 1.120(1) | 0.570(1) | 0.701(1) | 0.12(1) | 0.097(9) | 0.23(2) | −0.016(8) | −0.13(1) | −0.016(9) |
| F(3B) | 2i | 0.986(1) | 0.522(1) | 0.8428(9) | 0.12(1) | 0.097(9) | 0.23(2) | −0.016(8) | −0.13(1) | −0.016(9) |
| F(2B) | 2i | 1.206(1) | 0.401(2) | 0.7858(9) | 0.12(1) | 0.097(9) | 0.23(2) | −0.016(8) | −0.13(1) | −0.016(9) |
Discussion
Researchers are continually showing interest in the fac-[M(CO)3]+ [M = Re, Tc] synthon, particularly the fac-[Re(CO)3(OH2)3]+ moiety, primarily because of its potential use in the design of new diagnostic and therapeutic radiopharmaceuticals [2–4]. A considerable amount of work, involving the rhenium tricarbonyl core has already been published from our group, and this study forms part of on-going research, aimed at studying the chelation behaviour and structure and reactivity of the rhenium(I) metal centre and other middle and late transition metal complexes' behaviour when coordinated to β-diketone types of ligands [5–15].
The title compound, fac-[NEt4][Re(CO)3(Hfaa)(NO3)], consists of three facial coordinated carbonyl ligands, a fluorinated β-diketone ligand (hexafluoroacetylacetonate-Hfaa) in the axial position, a nitrate ligand in the equatorial plane, as well as a counterion, tetraethylammonium (NEt4), in the asymetric unit (see the figure, upper part). The coordination at Re(I) is a distorted octahedron, as seen in the C3—Re1—O6 (170.30(19)°) angle which deviates from 180°. The O4—Re1—O5 bite angle of 84.14(15)° correlates well with a similar hexafluoroacetylacetonate coordinated Re(I) complex, 84.56(8)° [6]. The bond distances in the coordination polyhedron, are within normal range when compared to a similar structure, ranging from 1.892(6) to 2.157(4) Å [16]. The molecules within the unit cell are packed in horizontal layers, in a head-to-head manner, when viewed along the c-axis. These layers are stabilised by intermolecular C—H⋯O bonds (see the figure, lower part).
Acknowledgements:
Financial assistance from the University of the Free State is gratefully acknowledged. We also express our gratitude towards NTeMBI, PETLabs Pharmaceuticals, SASOL and the South African National Research Foundation (SA-NRF/THRIP). This work is based on the research supported in part by the National Research Foundations of South-Africa and the Thuthuka programme (Grant specific unique reference numbers (UID) 84913 and 94142). The Grant holders acknowledge that opinions, findings and conclusions or recommendations expressed in any publication generated by the NRF supported research are that of the author(s) and that the NRF accepts no liability whatsoever in this regard.
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©2016 Amanda-Lee Manicum et al., published by De Gruyter.
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- Crystal structure of 4-((pyridin-4-ylmethyl)sulfinyl)pyridine, C11H10N2OS
- Crystal structure of 2,5-diethoxy-1,4-bis[2-(quinoline)ethenyl]benzene, C32H28N2O2
- Crystal structure of diaqua(μ2-1,1′-biphenyl-4,4′-diylbis(1H-imidazole)-κ2N:N′)tetrakis(3-carboxy-5-ethylpyridine-2-carboxylato-κ2N,O)dizinc(II), C54H50N8O18Zn2
- Crystal structure of a poly[bis(3,4,5,6-tetrachlorophthalato)neodym(III)potassium(I)] — 4,4′-bipyridine — water (1/1/5.5)
- The second polymorph of triethylammonium 2,4,6-trisulfanylidene-1,3,5-triazinan-1-ide, C9H18N4S3
- Crystal structure of 2,2′-diamino-[1,1′-biphenyl]-4,4′-dicarboxylic acid dihydrate, C14H16N2O6
- Crystal structure of the catena-poly[bis(1H-imidazole-κN)-(μ2-furan-2,5-dicarboxylato-κ2O1:O4)manganese(II)]monohydrate, C12H12MnN4O6
- Crystal structure of (acetylacetonato-κ2O:O′)bis-((1-(2-hydroxyphenyl)-3-(pyridin-2-yl)prop-2-en-1-one)-κ2C,N)iridium(III), C33H27IrN2O6
- Crystal structure of 1-benzyl-3-(4-methylpyridin-2-yl)-1H-imidazol-3-ium hexafluorophosphate, C16H16F6N3P
- Crystal structure of tetraethylammonium 3,5-dinitrosalicylate, C15H23N3O7
- Crystal structure of 4-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)-4,5-dihydropyrazol-1-yl] benzenesulfonamide, C21H18FN3O3S
- Crystal structure of 2,4-dichlorobenzene anhydride, C14H6Cl4O3
- Crystal structure of bis(2-hydroxy-2-phenylacetato-κ2O,O′)bis(pyridine-κN)nickel(II), C26H24N2NiO6
- Crystal structure of (E)-4-nitro-2-(((3-(tetrahydro-8λ4-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxaborol-8-yl)phenyl)imino)methyl)phenol – water (1/2), C17H18BN3O5·2H2O
- Crystal structure of 5-(4-carboxyphenoxy)-nicotinic acid, C13H9NO5
- Crystal structure of catena-poly[hexaaquabis(μ2-3-nitrophthalate-κ2O:O′)-(μ2-1,4-bis(4-pyridylmethyl)piperazine-κ2N:N′)dimanganese(II)] dihydrate, C32H42Mn2N6O20
- Crystal structure of diaquabis(bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate-κ4O, O′:/O′′,O′′′)bis-(2,2′-bipyridine-κ2N, N′)dicadmium(II) hydrate
- Crystal structure of (R)-1-(1-(6-fluorobenzo[d]thiazol-2-yl)ethyl)-3-phenylthiourea
- Crystal structure of poly[(μ2-1,4-bis((1H-imidiazol-1-yl)methyl)benzene-κ2N:N′)-(μ2-4,4′-(1,2-phenylenebis(oxy)dibenzoato-κ4O,O′:O′′,O′′′)nickel(II)], C34H26O6N4Ni
- Crystal structure of 3′,4′,5-trihydroxy-3,7-dimethoxyflavone, C17H14O7
- Crystal structure of n-butyl-chlorido-bis[N-sec-butyl,N-n-propyl-carbamodithioato κ2S,S′]-tin(IV), C20H41ClN2S4Sn
- Crystal structure of poly[bis(μ4-4,4′-(1,2-phenylenebis(oxy))dibenzoato-κ4O:O′:O′′:O′′′)bis(μ3-4,4′-(1,2-phenylenebis(oxy))dibenzoato–κ3O:O′:O′′)(μ2-1-(4-((1H-imidazol-1-yl)methyl)benzyl)-1H-imidazole-κ2N:N′)tetracobalt(II)], C94H62O24N4Co4
- Crystal structure of catenapoly[diaqua-(μ24,4′-bipyridine)-κ2N:N′)-bis(2,6-difluorobenzoate)-κO)nickel(II)] ethanol monosolvate, C28H30F4N2O8Ni
- Crystal structure of 2-(9H-fluoren-9-ylidene)hydrazine-1-carbothioamide, C14H11N3S
- Crystal structure of 2-(4-methoxyphenyl)-2,3-dihydro-1H-perimidine, C18H16N2O
- Crystal structure of catena-poly[diaquabis(μ2-3-carboxybenzene-1,2-dicarboxylato-1:2κ2O:O′)-(μ2-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)-benzene-1:1′κ2N:N′)dizinc(II)], [Zn2(C26H26N4)(C9H4O6)2(H2O)2]
- Crystal structure of diaquabis(phenoxyacetato-κ2O,O′)-zinc(II), C16H18O8Zn
- Crystal structure of 4-(1H-imidazol-1-yl)-6-pyrimidinylferrocene, C17H14FeN4
- Crystal structure of [2-(4-methoxyphenyl)pyrazine-κ2C,N) chlorido[N,N′-bis-(2,6-diisopropyl-phenyl)imidazol-2-ylidene-κC)] palladium(II), C38H45ClN4OPd
- Crystal structure of 2-(4-acetyl-2,6-dimethyl-phenyl)-5,6-dichloro-isoindole-1,3-dione, C18H13Cl2NO3
- Crystal structure of 4,4′-bipyridin-1-ium 3,3′,5′-tricarboxy-[1,1′-biphenyl]-2-carboxylate, (C26H18N2O8)
- Crystal structure of catena-poly[diaqua-μ2-4,4′-biphenyl-4,4′-diyldipyridine-κ2N:N′-bis(5-carboxy-2,6-dimethylpyridine-3-carboxylato-κO)nickel(II)] dihydrate, C40H40N4O12Ni
- Crystal structure of poly-[μ2-4,4′-bipyridine-κ2N:N′−μ3-thiophene-2,3-di-carboxylato-κ4O,O′, O′′:O′′′ -cadmium(II)]
- Crystal structure of hexaaquamanganese(II) bis(3-carboxythiophene-2-carboxylate) C12H18MnO14S2
- Crystal structure of 4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzoic acid, C14H10N4O2
- Crystal structure of (E)-2-(benzo[d]thiazol-2-yl)-3-(pyridin-3-yl)acrylonitrile)
- Crystal structure of catena-poly[2,2′-bipyridinyl-6,6′-dicarboxylato-κ4N,N′,O,O′)-(μ2-2,2′-bipyridinyl-6′-carboxyl-6-carboxylato-κ5N,N′,O,O′:O′′)samarium(III)] monohydrate, C24H13N4O8Sm · H2O
- Crystal structure of catena-poly[bis(μ2-4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzoato)-κ2N:O)copper(II)] dihydrate, C28H22N8O6Cu
- Crystal structure of catena-poly[tetraaqua-(μ2-4,4′-bipyridine-k2N:N′)-zinc(II)] fumarate tetrahydrate, C14H26N2O12Zn
- Crystal structure of triaqua-(1,10-phenanthroline)-(dihydrogen-3,3′,3′′-(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanoato) cobalt(II)dihydrogen-3,3′,3′′-(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanoate, C72H82Co2N16O42
- Crystal structure of poly[dibromido-(μ2–4,4′-bis-(pyrid-4-yl)biphenyl-κ2N:N′)lead(II)], C22H16N2PbBr2
- Crystal structure of catena-poly[diaqua-bis(μ2-5-carboxy-2-(pyridin-4-yl)benzoato-κ2O:N)-cobalt(II)]dihydrate, C26H24N2O12Co
- Crystal structure of 5-(4-pyridyl)pyrimidine–4,4′-bipyridine–1,3,5-benzenetriol–water (1:1:1:1), C25H23N5O4
- Crystal structure of 5-hydroxy-4-((4-hydroxyphenyl)imino)naphthalen-1(4H)-one monohydrate, C16H11NO3 · 0.5H2O
- Crystal structure of 2-amino-N-(4-methoxyphenyl)benzamide, C14H14N2O2
- Crystal structure of (2,5-dihydroxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone, C15H14O6
- Crystal structure of dichlorido[bis(2-hydroxyethyl)5′-([2,2′:6′,2′′-terpyridin]-4′-yl)-[1,1′:3′,1′′-terphenyl]-4,4′′-dicarboxylato]zinc(II), C39H31Cl2N3O6Zn
- Crystal structure of bis[4-(3-carboxy-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium] benzene-1,4-dicarboxylate (C20H18F2N3O3)2(C8H4O4), C48H40F4N6O10
- Crystal structure of (2,5-dihydroxyphenyl)-(4-methoxyphenyl)methanone, C14H12O4
- Crystal structure of photochromic 1-(2-methyl-5-phenyl-3-thienyl-2-[2-methyl-5-(4-ethoxylphenyl)-3-thienyl] 3,3,4,4,5,5-hexafluoro-cyclopent-1-ene, C29H22F6OS2
- Crystal structure of poly[diaquabis(μ2-biphenyl-2,4′-dicarboxylato-κ2O:O′)tris(μ2-1,1′-biphenyl-4,4′-diylbis(1H-imidazole)-κ2N:N′)dicobalt(II)] monohydrat, C82H64N12O11Co2
- Crystal structure of 2-amino-4-(3,4-difluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H12N2O2F2
- Crystal structure of poly[(di-μ2-aqua-κ2O:O)bis(μ5-oxalato-1:2κ2O1; 1κ1O2; 3:4:5κ3O3; 3κ1O4)(μ4-oxalato-1:2κ2O1; 2:3κ2O2; 3:4κ2O3; 4:1κ2O4)dizinc(II)disodium(I)]
- Crystal structure of tetraethylammonium hexachloridotantalate(V), C8H20Cl6NTa
- Crystal structure of (E)-2,4-dibromo-6-(((2-nitrophenyl)imino)methyl)phenol, C13H8Br2N2O3
- The crystal structure of 6-chloro-2,4-diphenylquinoline
- Crystal structure of (E)-2-(((1,10-phenanthrolin-5-yl)imino)methyl)-5-methylphenol monohydrate, C20H15N3O·H2O
- Crystal structure of tris(3-(2-pyridyl)pyrazole)zinc(II)tetrachlorido zincate(II), C24H21Cl4N9Zn2
- Crystal structure of 4-chloro-N,N-diethyl-6-(piperidin-1-yl)-1,3,5-triazin-2-amine, C12H20ClN5
- The crystal structure of 4-allyl-5-benzyl-2,4-dihydro-3H-1,2,4-triazol-3-one, C12H13N3O
- Crystal structure of diethyl 2-(((2-(pyridin-3-ylthio)phenyl)amino)methylene)malonate, C19H20N2O4S
- Crystal structure of fac-tricarbonyl(2-(isopropylimino)methyl-5-methylphenolatido-κ2N,O)(pyridine-κN)rhenium(I), C19H19N2O4Re
- Crystal structure of 1,3,6,8-tetrakis(p-tolylthio)pyrene, C44H34S4
- Crystal structure of catena-poly-(diaqua-(μ2-1,2-bis(4-pyridyl)ethene-κ2N:N′)-(4-methylphthalato-κ2O,O′)-cobalt(II)trihydrate, C21H26CoN2O9
- Crystal structure of tetraethylammonium fac-tricarbonyl(hexafluoroacetylacetonato-κ2O,O′)-(nitrato-κO)rhenium(I), C16H21O8N2F6Re
- Crystal structure of 3-(thiophen-2-yl)-5-(p-tolyl)-4,5-dihydro-1H-pyrazole-1-carboxamide
- Crystal structure of bis(1-ethyl-3-methylimidazolium) tetrabromidocadmate(II), [C6H11N2]2[CdBr4]
- Crystal structure of N′-(adamantan-2-ylidene)-isonicotinohydrazide, C16H19N3O
- Crystal structure of trans-tetraaquabis(4-(pyridin-4-ylsulfonyl)pyridine-κN)cobalt(II) diperchlorate dihydrate, C20H28Cl2CoN4O18S2
- Crystal structure of (Z)-4-(furan-2-yl(p-tolylamino)methylene)-3-methyl-1-p-tolyl-1H-pyrazol-5(4H)-one, C23H21N3O2
- Crystal structure of 2-[(4-fluorobenzyl)sulfanyl]-4-(2-methylpropyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C16H16FN3OS
- Crystal structure of poly[octaaqua-tris(benzene-1,2,4,5-tetracarboxylato)tetralanthanum(III)] hexahydrate, C30H34La4O38
- Crystal structure of trans-tetraaqua-bis(4,4′-sulfonyldipyridine-κN)zinc(II) diperchlorate dihydrate, C20H28Cl2ZnN4O18S2
- Crystal structure of 4-nitro-thiophene-2-carboxylic acid, a structure with a Z′ = 4, C5H3NO4S
- Crystal structure of dirubidium trimercury(II) tetraselenide, Rb2Hg3Se4
- Crystal structure of 5-(adamantan-1-yl)-3-[(4-chloroanilino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione, C19H22ClN3OS
- Crystal structure of hexaaquamagnesium(II) 5,5′-bitetrazole-1,1′-diolate, C2H12N8O8Mg
- The crystal structure of catena-poly[(μ2-1,1′-benzene-1,4-diylbis(1H-benzimidazole-κ2N:N′)silver(I)] nitrate, C20H14N5AgO3
- The crystal structure of 1-(2-(4-chlorophenoxy)-4-chlorophenyl)ethanone, C14H10Cl2O2
- The crystal structure of 3,5-dinitro-1,3,5-oxadiazinane, C3H6N4O5
- Crystal structure of methyl 5-methoxy 1H-indole-2-carboxylate, C11H11NO3
- Crystal structure of (Z)-1-(((3-acetyl-2-hydroxyphenyl)amino)methylene)naphthalen-2(1H)-one, C19H15NO3
- Crystal structure of (Z)-5-(4-chlorobenzylidene)-2-thioxothiazolidin-4-one —dimethylsulfoxide (1:1), C12H12ClNO2S3
- Crystal structure of 5,5′-((4-(trifluoromethyl)phenyl)methylene)bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione) – diethylamine – dichloromethane (1/1/1) C25H32Cl2F3N5O6
- Crystal structure of 2-(dimethylsulfanylidene)-N-(4-methoxyphenyl)-3-oxo-3-phenylpropanamide
- Crystal structure of (1,10-phenanthroline-κ2N,N′)bis(thiocyanato-κN)platinum(II), C14H8N4PtS2
- Crystal structure of di(μ2-chlorido)bis[2-(2-pyridyl)phenyl-κ2N,C1]dipalladium(II), C22H16Cl2N2Pd2
- Crystal structure of trans-dibromidodi(pyridine-κN)palladium(II), PdBr2(C5H5N)2
Articles in the same Issue
- Cover and Frontmatter
- Crystal structure of rac-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid, C5H7O2F3
- Crystal structure of 5-methyl-2-phenyl-1,3-dioxane-5-carboxylic acid, C12H14O4
- Crystal structure of ethyl 2-(2-(2-(4-chlorophenyl)-3-methylbutanamido)thiazol-4-yl)acetate, C18H21ClN2O3S
- The crystal structure of (4E,11E,31E,38E)-1,4,12,15,18,26,31,39-Octaaza-7,21,24-trihydroxy-penta-cyclo[13·13·13·16,10·120,24·133,37]tetratetraconta-4,6(44),7,9,11,18,20(43),21,23,25,31,33(42),34,36,38-pentadecaene, C36H42N8O3
- Crystal structure of poly[diaqua-μ5-4-(3,5-dicarboxylato-κ3O1:O2:O3-phenoxy)phthalato-κ3O5,O7:O8)(μ2-4-(1H-pyrazol-5-yl)pyridine-κ2N:N′)dicobalt(II)] C24H16N3O11Co2
- Crystal structure of catena-poly[(μ2-acetamido-benzoato-κ2O:O′)triphenyltin(IV)], C27H23NO3Sn
- Crystal structure of chlorido(2,2′-((1E,1′E)-(((1R,2R)-cyclohexane-1,2-diyl)bis(azanylylidene))bis(methylylidene))diphenolato-κ4N,N′,O,O′)iron(III), C20H20ClFeN2O2
- Crystal structure of (E)-3-(4-tert-butyl)phenyl)-1-(3-chlorophenyl)prop-2-en-1-one, C18H17CIO
- Crystal structure of trans-1,2-bis(pyridinium-4-yl)ethylene–2-carboxy-4-methylbenzoate (1/2), C30H26N2O8
- Crystal structure of poly[aqua-ethylenediamine-tetraacetatolead(II)zinc(II)]
- Crystal structure of (E)-2-((2-(2,4-dinitrophenyl)hydrazono)methyl)-4-nitrophenol — triethylamine (2/1), C32H33N11O14
- Crystal structure of catena-poly[diaqua-bis-(μ2-5-carboxy-2-(pyridin-4-yl)benzoato-κ2O:N)cadmium(II)] dihydrate, C26H24N2O12Cd
- Crystal structure of 2-(ethoxycarbonyl)-2-(2-nitro-1-phenylethyl)-3-oxopyrrolidinium chloride, C15H19N2O5Cl
- Crystal structure of 4-((pyridin-4-ylmethyl)sulfinyl)pyridine, C11H10N2OS
- Crystal structure of 2,5-diethoxy-1,4-bis[2-(quinoline)ethenyl]benzene, C32H28N2O2
- Crystal structure of diaqua(μ2-1,1′-biphenyl-4,4′-diylbis(1H-imidazole)-κ2N:N′)tetrakis(3-carboxy-5-ethylpyridine-2-carboxylato-κ2N,O)dizinc(II), C54H50N8O18Zn2
- Crystal structure of a poly[bis(3,4,5,6-tetrachlorophthalato)neodym(III)potassium(I)] — 4,4′-bipyridine — water (1/1/5.5)
- The second polymorph of triethylammonium 2,4,6-trisulfanylidene-1,3,5-triazinan-1-ide, C9H18N4S3
- Crystal structure of 2,2′-diamino-[1,1′-biphenyl]-4,4′-dicarboxylic acid dihydrate, C14H16N2O6
- Crystal structure of the catena-poly[bis(1H-imidazole-κN)-(μ2-furan-2,5-dicarboxylato-κ2O1:O4)manganese(II)]monohydrate, C12H12MnN4O6
- Crystal structure of (acetylacetonato-κ2O:O′)bis-((1-(2-hydroxyphenyl)-3-(pyridin-2-yl)prop-2-en-1-one)-κ2C,N)iridium(III), C33H27IrN2O6
- Crystal structure of 1-benzyl-3-(4-methylpyridin-2-yl)-1H-imidazol-3-ium hexafluorophosphate, C16H16F6N3P
- Crystal structure of tetraethylammonium 3,5-dinitrosalicylate, C15H23N3O7
- Crystal structure of 4-[5-(4-fluorophenyl)-3-(4-hydroxyphenyl)-4,5-dihydropyrazol-1-yl] benzenesulfonamide, C21H18FN3O3S
- Crystal structure of 2,4-dichlorobenzene anhydride, C14H6Cl4O3
- Crystal structure of bis(2-hydroxy-2-phenylacetato-κ2O,O′)bis(pyridine-κN)nickel(II), C26H24N2NiO6
- Crystal structure of (E)-4-nitro-2-(((3-(tetrahydro-8λ4-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxaborol-8-yl)phenyl)imino)methyl)phenol – water (1/2), C17H18BN3O5·2H2O
- Crystal structure of 5-(4-carboxyphenoxy)-nicotinic acid, C13H9NO5
- Crystal structure of catena-poly[hexaaquabis(μ2-3-nitrophthalate-κ2O:O′)-(μ2-1,4-bis(4-pyridylmethyl)piperazine-κ2N:N′)dimanganese(II)] dihydrate, C32H42Mn2N6O20
- Crystal structure of diaquabis(bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate-κ4O, O′:/O′′,O′′′)bis-(2,2′-bipyridine-κ2N, N′)dicadmium(II) hydrate
- Crystal structure of (R)-1-(1-(6-fluorobenzo[d]thiazol-2-yl)ethyl)-3-phenylthiourea
- Crystal structure of poly[(μ2-1,4-bis((1H-imidiazol-1-yl)methyl)benzene-κ2N:N′)-(μ2-4,4′-(1,2-phenylenebis(oxy)dibenzoato-κ4O,O′:O′′,O′′′)nickel(II)], C34H26O6N4Ni
- Crystal structure of 3′,4′,5-trihydroxy-3,7-dimethoxyflavone, C17H14O7
- Crystal structure of n-butyl-chlorido-bis[N-sec-butyl,N-n-propyl-carbamodithioato κ2S,S′]-tin(IV), C20H41ClN2S4Sn
- Crystal structure of poly[bis(μ4-4,4′-(1,2-phenylenebis(oxy))dibenzoato-κ4O:O′:O′′:O′′′)bis(μ3-4,4′-(1,2-phenylenebis(oxy))dibenzoato–κ3O:O′:O′′)(μ2-1-(4-((1H-imidazol-1-yl)methyl)benzyl)-1H-imidazole-κ2N:N′)tetracobalt(II)], C94H62O24N4Co4
- Crystal structure of catenapoly[diaqua-(μ24,4′-bipyridine)-κ2N:N′)-bis(2,6-difluorobenzoate)-κO)nickel(II)] ethanol monosolvate, C28H30F4N2O8Ni
- Crystal structure of 2-(9H-fluoren-9-ylidene)hydrazine-1-carbothioamide, C14H11N3S
- Crystal structure of 2-(4-methoxyphenyl)-2,3-dihydro-1H-perimidine, C18H16N2O
- Crystal structure of catena-poly[diaquabis(μ2-3-carboxybenzene-1,2-dicarboxylato-1:2κ2O:O′)-(μ2-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)-benzene-1:1′κ2N:N′)dizinc(II)], [Zn2(C26H26N4)(C9H4O6)2(H2O)2]
- Crystal structure of diaquabis(phenoxyacetato-κ2O,O′)-zinc(II), C16H18O8Zn
- Crystal structure of 4-(1H-imidazol-1-yl)-6-pyrimidinylferrocene, C17H14FeN4
- Crystal structure of [2-(4-methoxyphenyl)pyrazine-κ2C,N) chlorido[N,N′-bis-(2,6-diisopropyl-phenyl)imidazol-2-ylidene-κC)] palladium(II), C38H45ClN4OPd
- Crystal structure of 2-(4-acetyl-2,6-dimethyl-phenyl)-5,6-dichloro-isoindole-1,3-dione, C18H13Cl2NO3
- Crystal structure of 4,4′-bipyridin-1-ium 3,3′,5′-tricarboxy-[1,1′-biphenyl]-2-carboxylate, (C26H18N2O8)
- Crystal structure of catena-poly[diaqua-μ2-4,4′-biphenyl-4,4′-diyldipyridine-κ2N:N′-bis(5-carboxy-2,6-dimethylpyridine-3-carboxylato-κO)nickel(II)] dihydrate, C40H40N4O12Ni
- Crystal structure of poly-[μ2-4,4′-bipyridine-κ2N:N′−μ3-thiophene-2,3-di-carboxylato-κ4O,O′, O′′:O′′′ -cadmium(II)]
- Crystal structure of hexaaquamanganese(II) bis(3-carboxythiophene-2-carboxylate) C12H18MnO14S2
- Crystal structure of 4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzoic acid, C14H10N4O2
- Crystal structure of (E)-2-(benzo[d]thiazol-2-yl)-3-(pyridin-3-yl)acrylonitrile)
- Crystal structure of catena-poly[2,2′-bipyridinyl-6,6′-dicarboxylato-κ4N,N′,O,O′)-(μ2-2,2′-bipyridinyl-6′-carboxyl-6-carboxylato-κ5N,N′,O,O′:O′′)samarium(III)] monohydrate, C24H13N4O8Sm · H2O
- Crystal structure of catena-poly[bis(μ2-4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzoato)-κ2N:O)copper(II)] dihydrate, C28H22N8O6Cu
- Crystal structure of catena-poly[tetraaqua-(μ2-4,4′-bipyridine-k2N:N′)-zinc(II)] fumarate tetrahydrate, C14H26N2O12Zn
- Crystal structure of triaqua-(1,10-phenanthroline)-(dihydrogen-3,3′,3′′-(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanoato) cobalt(II)dihydrogen-3,3′,3′′-(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tripropanoate, C72H82Co2N16O42
- Crystal structure of poly[dibromido-(μ2–4,4′-bis-(pyrid-4-yl)biphenyl-κ2N:N′)lead(II)], C22H16N2PbBr2
- Crystal structure of catena-poly[diaqua-bis(μ2-5-carboxy-2-(pyridin-4-yl)benzoato-κ2O:N)-cobalt(II)]dihydrate, C26H24N2O12Co
- Crystal structure of 5-(4-pyridyl)pyrimidine–4,4′-bipyridine–1,3,5-benzenetriol–water (1:1:1:1), C25H23N5O4
- Crystal structure of 5-hydroxy-4-((4-hydroxyphenyl)imino)naphthalen-1(4H)-one monohydrate, C16H11NO3 · 0.5H2O
- Crystal structure of 2-amino-N-(4-methoxyphenyl)benzamide, C14H14N2O2
- Crystal structure of (2,5-dihydroxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone, C15H14O6
- Crystal structure of dichlorido[bis(2-hydroxyethyl)5′-([2,2′:6′,2′′-terpyridin]-4′-yl)-[1,1′:3′,1′′-terphenyl]-4,4′′-dicarboxylato]zinc(II), C39H31Cl2N3O6Zn
- Crystal structure of bis[4-(3-carboxy-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium] benzene-1,4-dicarboxylate (C20H18F2N3O3)2(C8H4O4), C48H40F4N6O10
- Crystal structure of (2,5-dihydroxyphenyl)-(4-methoxyphenyl)methanone, C14H12O4
- Crystal structure of photochromic 1-(2-methyl-5-phenyl-3-thienyl-2-[2-methyl-5-(4-ethoxylphenyl)-3-thienyl] 3,3,4,4,5,5-hexafluoro-cyclopent-1-ene, C29H22F6OS2
- Crystal structure of poly[diaquabis(μ2-biphenyl-2,4′-dicarboxylato-κ2O:O′)tris(μ2-1,1′-biphenyl-4,4′-diylbis(1H-imidazole)-κ2N:N′)dicobalt(II)] monohydrat, C82H64N12O11Co2
- Crystal structure of 2-amino-4-(3,4-difluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H12N2O2F2
- Crystal structure of poly[(di-μ2-aqua-κ2O:O)bis(μ5-oxalato-1:2κ2O1; 1κ1O2; 3:4:5κ3O3; 3κ1O4)(μ4-oxalato-1:2κ2O1; 2:3κ2O2; 3:4κ2O3; 4:1κ2O4)dizinc(II)disodium(I)]
- Crystal structure of tetraethylammonium hexachloridotantalate(V), C8H20Cl6NTa
- Crystal structure of (E)-2,4-dibromo-6-(((2-nitrophenyl)imino)methyl)phenol, C13H8Br2N2O3
- The crystal structure of 6-chloro-2,4-diphenylquinoline
- Crystal structure of (E)-2-(((1,10-phenanthrolin-5-yl)imino)methyl)-5-methylphenol monohydrate, C20H15N3O·H2O
- Crystal structure of tris(3-(2-pyridyl)pyrazole)zinc(II)tetrachlorido zincate(II), C24H21Cl4N9Zn2
- Crystal structure of 4-chloro-N,N-diethyl-6-(piperidin-1-yl)-1,3,5-triazin-2-amine, C12H20ClN5
- The crystal structure of 4-allyl-5-benzyl-2,4-dihydro-3H-1,2,4-triazol-3-one, C12H13N3O
- Crystal structure of diethyl 2-(((2-(pyridin-3-ylthio)phenyl)amino)methylene)malonate, C19H20N2O4S
- Crystal structure of fac-tricarbonyl(2-(isopropylimino)methyl-5-methylphenolatido-κ2N,O)(pyridine-κN)rhenium(I), C19H19N2O4Re
- Crystal structure of 1,3,6,8-tetrakis(p-tolylthio)pyrene, C44H34S4
- Crystal structure of catena-poly-(diaqua-(μ2-1,2-bis(4-pyridyl)ethene-κ2N:N′)-(4-methylphthalato-κ2O,O′)-cobalt(II)trihydrate, C21H26CoN2O9
- Crystal structure of tetraethylammonium fac-tricarbonyl(hexafluoroacetylacetonato-κ2O,O′)-(nitrato-κO)rhenium(I), C16H21O8N2F6Re
- Crystal structure of 3-(thiophen-2-yl)-5-(p-tolyl)-4,5-dihydro-1H-pyrazole-1-carboxamide
- Crystal structure of bis(1-ethyl-3-methylimidazolium) tetrabromidocadmate(II), [C6H11N2]2[CdBr4]
- Crystal structure of N′-(adamantan-2-ylidene)-isonicotinohydrazide, C16H19N3O
- Crystal structure of trans-tetraaquabis(4-(pyridin-4-ylsulfonyl)pyridine-κN)cobalt(II) diperchlorate dihydrate, C20H28Cl2CoN4O18S2
- Crystal structure of (Z)-4-(furan-2-yl(p-tolylamino)methylene)-3-methyl-1-p-tolyl-1H-pyrazol-5(4H)-one, C23H21N3O2
- Crystal structure of 2-[(4-fluorobenzyl)sulfanyl]-4-(2-methylpropyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C16H16FN3OS
- Crystal structure of poly[octaaqua-tris(benzene-1,2,4,5-tetracarboxylato)tetralanthanum(III)] hexahydrate, C30H34La4O38
- Crystal structure of trans-tetraaqua-bis(4,4′-sulfonyldipyridine-κN)zinc(II) diperchlorate dihydrate, C20H28Cl2ZnN4O18S2
- Crystal structure of 4-nitro-thiophene-2-carboxylic acid, a structure with a Z′ = 4, C5H3NO4S
- Crystal structure of dirubidium trimercury(II) tetraselenide, Rb2Hg3Se4
- Crystal structure of 5-(adamantan-1-yl)-3-[(4-chloroanilino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione, C19H22ClN3OS
- Crystal structure of hexaaquamagnesium(II) 5,5′-bitetrazole-1,1′-diolate, C2H12N8O8Mg
- The crystal structure of catena-poly[(μ2-1,1′-benzene-1,4-diylbis(1H-benzimidazole-κ2N:N′)silver(I)] nitrate, C20H14N5AgO3
- The crystal structure of 1-(2-(4-chlorophenoxy)-4-chlorophenyl)ethanone, C14H10Cl2O2
- The crystal structure of 3,5-dinitro-1,3,5-oxadiazinane, C3H6N4O5
- Crystal structure of methyl 5-methoxy 1H-indole-2-carboxylate, C11H11NO3
- Crystal structure of (Z)-1-(((3-acetyl-2-hydroxyphenyl)amino)methylene)naphthalen-2(1H)-one, C19H15NO3
- Crystal structure of (Z)-5-(4-chlorobenzylidene)-2-thioxothiazolidin-4-one —dimethylsulfoxide (1:1), C12H12ClNO2S3
- Crystal structure of 5,5′-((4-(trifluoromethyl)phenyl)methylene)bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione) – diethylamine – dichloromethane (1/1/1) C25H32Cl2F3N5O6
- Crystal structure of 2-(dimethylsulfanylidene)-N-(4-methoxyphenyl)-3-oxo-3-phenylpropanamide
- Crystal structure of (1,10-phenanthroline-κ2N,N′)bis(thiocyanato-κN)platinum(II), C14H8N4PtS2
- Crystal structure of di(μ2-chlorido)bis[2-(2-pyridyl)phenyl-κ2N,C1]dipalladium(II), C22H16Cl2N2Pd2
- Crystal structure of trans-dibromidodi(pyridine-κN)palladium(II), PdBr2(C5H5N)2