Home The structure of RUB-1, (C8H16N)6[B6Si48O108], a boron containing levyne-type zeolite, occluding N-methyl-quinuclidinium in the cage-like pores
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The structure of RUB-1, (C8H16N)6[B6Si48O108], a boron containing levyne-type zeolite, occluding N-methyl-quinuclidinium in the cage-like pores

  • Antje Gruenewald-Lueke , Isabel Grosskreuz ORCID logo , Hermann Gies and Bernd Marler ORCID logo EMAIL logo
Published/Copyright: July 17, 2023
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Zeitschrift für Kristallographie - New Crystal Structures
From the journal Zeitschrift für Kristallographie - New Crystal Structures Volume 238 Issue 5

Abstract

C48H96B6N6O108Si48, trigonal, R 3 ‾ m (no. 166), a = 12.8892(1) Å, c = 22.3058(2) Å, V = 3209.23(4) Å3, Z = 1, density = 2.02(2) g·cm−3, R(F) = 0.038, Chi2 = 2.86, T = 293 K.

CCDC no.: 2279125

Tables 1 and 2 contain details of the measurement method, a list of atomic coordinates, occupancy factors and displacement parameters, respectively.

Table 1:

Data collection and handling.

Crystal: Colorless powder
Size: 0.07 × 0.07 × 0.07 mm
Wavelength: Cu Kα radiation (1.54059 Å)
μ: 5.6 mm−1
Diffractometer, scan mode: Siemens D5000, Debye-Scherrer Geometry
2Θ range: 8.04–97.98°
N(hkl)measured: 466
N(param)refined: 26
Programs: Fullprof 2K [1], VESTA [2]
Table 2:

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).

Atom x y z Uiso*/Ueq
O1 0.0989 (2) 0.1979 (2) 0.07645 (12) 0.02533*
O2 0.02965 (14) 0.34557 (14) 0.10906 (9) 0.02533*
O3 0.87261 (10) 0.12739 (10) 0.08552 (16) 0.02533*
O4 0.00000 0.27216 (17) 0.00000 0.02533*
O5 0.11425 (10) 0.88575 (10) 0.49110 (17) 0.02533*
Si1a 0.00064 (10) 0.23534 (11) 0.06741 (4) 0.01267*
B1b 0.00064 (10) 0.23534 (11) 0.06741 (4) 0.01267*
Si2c 0.24315 (12) 0.00000 0.50000 0.01267*
B2d 0.24315 (12) 0.00000 0.50000 0.01267*
C1 0.00000 0.00000 0.3685 (5) 0.267 (3)*
C2 0.0636 (4) 0.1271 (4) 0.3393 (2) 0.267 (3)*
C3 0.0650 (3) 0.1300 (3) 0.2670 (2) 0.267 (3)*
N4 0.00000 0.00000 0.2531 (4) 0.441 (6)*
C5 0.00000 0.00000 0.1904 (4) 0.441 (6)*

  1. aOccupancy: 0.887(3), bOccupancy: 0.113(3), cOcupancy: 0.922(4), dOccupancy: 0.078(4).

1 Source of material

The crystals used in this study are taken from the original material as described in publication [3]. The crystals had been synthesized hydrothermally in sealed silica glass tubes at 453 K from a reaction mixture of tetramethoxysilane, boric acid, N-methyl-quinuclidinium hydroxide and water. The crystals were carefully separated from an impurity (SGT-type zeolite).

2 Experimental details

The Siemens D5000 diffractometer used for collecting the powder diffraction data was equipped with a Braun linear position-sensitive detector (2theta coverage = 6°) and a curved germanium (111) primary monochromator. The sample was sealed in a glass capillary (0.3 mm in diameter) to avoid a preferred orientation of the crystals. No absorption correction was necessary. Soft distance restraints were used for d(Si–O) = 1.58(1) Å, d(Si⋯Si) = 3.05(4) Å, d(O⋯O) = 2.59(3) Å, d(C–C) = 1.54(1) Å, d(C–N) = 1.48(1) Å, d(N⋯C, next-next neighbour) = 2.45(4) Å and d(C⋯C, next-next neighbour) = 2.50(4) Å. Isotropic displacement parameters B(iso) of the framework atoms were fixed at crystal chemically meaningful values to allow for a reliable refinement of the occupancy factors of Si and B. Isotropic displacement parameters of C and N atoms were refined. The scattering power of the hydrogen atoms which could not be located was included in the refinement by increasing the occupancy factor of the carbon atoms accordingly. This technique was used since the highly diffuse electron density at the position of the carbon atoms includes also the electrons of the hydrogen atoms.

3 Comment

Zeolite levyne, known as a mineral in its Ca dominated form with formula (Ca,Na2,K2)[Al2Si4O12]*6H2O since 1824 [4], has a microporous aluminiumsilicate framework with tetrahedrally coordinated Al and Si atoms. The first synthetic levyne has been reported in 1969 [5]. In 1959, the general structure of levyne was solved from a twinned single crystal [6] and later (1975) analyzed in detail by Merlino et al. [7]. Although Levyne-type zeolites are usually aluminiumsilicates, they can be synthesized with different framework compositions: in an all-silica form, as aluminophosphates, silico-aluminophosphates and metal-aluminophosphates and also as borosilicates. All these forms are typically synthesized with organic molecules or organic cations such as chinuclidine or aminoadamantane. The microporous framework of levyne consists of two polyhedral units, the small double-six-ring which is empty and the large [49 65 83]-cage which contains either an organic molecule/cation or inorganic cations and water (see Figure 1).

Figure 1: Characteristic section of the structure of the title compound. Oxygen atoms are omitted for clarity.
Figure 1:

Characteristic section of the structure of the title compound. Oxygen atoms are omitted for clarity.

Boron containing levyne (B-levyne) has been described rarely. Three papers present the synthesis and characterization of the materials [3, 8, 9]. Only two structure analyses have been published: A detailed study on quinuclidine containing B-levyne at different temperatures [10] and a conference abstract describing briefly the structures of two B-levyne materials containing quinuclidinium and N-methyl-quinuclidinium, respectively; however, without reporting details or atomic coordinates, occupancies and displacement parameters [11]. To perform this study, the original material as described in Ref. [3] was used. The 11B MAS NMR spectrum showed two sharp and symmetric signals with chemical shifts of −3.60 and −4.55 ppm. This indicates that boron is exclusively tetrahedrally coordinated, replacing silicon atoms at T-positions of the silicate framework [3].

The Rietveld refinement of the title compound gave T–O distances of 1.577–1.589 Å. These values deviate from those of aluminium containing levyne (T–O distances in the range of 1.65–1.66 Å, [7]) because of the smaller boron atoms. The refinement of occupancy factors led to 5.4 boron atoms per unit cell. To compensate the charge of the six organic cations, six boron atoms at T sites are necessary. Since background correction and displacement parameters have an impact on the occupancy factors, it is assumed that, in fact, six boron atoms are present per unit cell. The boron atoms nearly randomly replace silicon to a small extend at T sites (11 % at T1 and 8 % at T2). This leads to a virtually even distribution of ≤6 negative charges about the 108 framework oxygen atoms. Table 2 lists atomic coordinates, occupancy factors and displacement parameters.

A difference Fourier map calculated by using only the framework atoms (Si, B, O) showed a remaining positive electron density clearly resembling the geometry of the N-methyl-quinuclidinium cation (see Figure 2). The [49 65 83]-cages are fully occupied by methyl-quinuclidinium cations. The distribution of electron density proved that the cation adopts only one particular orientation in the cage. This is in contrast to the boron-levyne occluding quinuclidine. Here, the quinuclidine occupies the cage in at least two different orientations [10]. Short distances between the carbon atom of the methyl group and the oxygen atoms of the framework (3.37 Å) show that the N-methyl-quinuclidinium cation fits just tightly into the cage. The c0 lattice parameter of B-levyne occluding the N-methyl-quinuclidinium cation is considerably larger (22.3058(2) Å, this study) than the c0 parameter of the B-levyne occluding the smaller quinuclidine molecule (21.9173(4) Å, [10]) showing some flexibility of the levyne cage. In contrast, the diameter of the N-methyl-quinuclidinium containing cage perpendicular to the c-axis is slightly smaller (a0 = 12.8892(1) Å) than the quinuclidine containing cage (a0 = 12.9475(2) Å [10]). While high displacement parameters of the carbon atoms (see Table 1) indicated some motional freedom of the cation, the N-methyl-quinuclidinium does not rotate freely about the 3-fold axis at room temperature – as one might expect. This is due to the weak interactions between the large cation carrying only one positive charge and the cage wall, which is only weakly negatively charged. Although there are two possible orientations of the N-methyl-quinuclidinium cation in a particular cage with respect to the c-axis (up and down), only one orientation is observed.

Figure 2: Difference Fourier map showing a remaining positive electron density (yellow) that clearly resembles the geometry of the N-methyl-quinuclidinium cation.
Figure 2:

Difference Fourier map showing a remaining positive electron density (yellow) that clearly resembles the geometry of the N-methyl-quinuclidinium cation.

Corresponding author: Bernd Marler, Institute of Geology, Mineralogy und Geophysics, Ruhr-University Bochum, Universitaetsstrasse 150, 44801 Bochum, Germany, E-mail:

Funding source: Deutsche Forschungsgemeinschaft

Award Identifier / Grant number: MA 6641/3-1

  1. Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.

  2. Research funding: The work was funded by the Deutsche Forschungsgemeinschaft with grant number MA 6641/3-1.

  3. Conflict of interest statement: The authors declare no conflicts of interest regarding this article.

References

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Received: 2023-06-13
Accepted: 2023-07-04
Published Online: 2023-07-17
Published in Print: 2023-10-26

© 2023 the author(s), published by De Gruyter, Berlin/Boston

This work is licensed under the Creative Commons Attribution 4.0 International License.

Articles in the same Issue

  1. Frontmatter
  2. New Crystal Structures
  3. The crystal structure of (N-([1,1′:4′,1″-terphenyl]-4,4′-diethyl)-2-(bis(pyridin-2-ylmethyl)amino)acetamide-κ4N,N,N″, O)tri(nitrato-kO, O′) samarium(III) - methanol - acetonitrile (1/1/1), C40H39SmN8O14
  4. The crystal structure of 6,6′-(((2-(dimethylamino)ethyl)azanediyl)bis(methylene))bis(2-chloro-4-methyl phenolate-κ4N,N′,O,O′)-(pyridine-2,6-dicarboxylato-N,O,O′)-titanium(IV), C27H27Cl2N3O6Ti
  5. N′-[(1E)-(4–Fluorophenyl)methylidene]adamantane-1-carbohydrazide, C18H21FN2O
  6. Crystal structure of 4-bromo-3-nitro-1H-pyrazole-5-carboxylic acid monohydrate, C4H2N3BrO4·H2O
  7. Crystal structure of dipyridine-k1N-tris(2,2,6,6-tetramethyl-5-oxohept-3-en-3-olato-k2O,O′)dysprosium(III), DyC43H67O6N2
  8. Crystal structure of cyclo[tetraiodido-bis{μ2-1-[(benzotriazol-1-yl)methyl]-1-H-1,3-(2-isopropyl-imidazol)-k2N:N}dicadmiun(II)], C26H30N10Cd2I4
  9. The crystal structure of tert-butyl (E)-3-(2-(benzylideneamino)phenyl)-1H-indole-1-carboxylate, C26H24N2O2
  10. The crystal structure of 4-(3-carboxy-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4- dihydroquinolin-7-yl)-2-methylpiperazin-1-ium 2,5-dihydroxybenzoate methanol solvate, C27H32FN3O9
  11. Crystal structure of (μ2-1-(4,4′-bipyridine-κ2N:N′)-bis[diaqua-(4-iodopyridine-2,6-dicarboxylato-κ3O,N,O′)–cobalt(II)], C24H20Co2I2N4O12
  12. The crystal structure of dimethyl 4,4′-(10,20-diphenylporphyrin-5,15-diyl)dibenzoate dichloromethane solvate, C49H36N4O4Cl2
  13. (E)-2-((E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene)hydrazine-1-carbothioamide C14H23N3S1
  14. The crystal structure of [1-(4-(trifluoromethyl)phenyl)-3,4-dihydroquinolin-2(1H)-one], C16H12F3NO
  15. Crystal structure of (E)-2-amino-N′-((3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl)methylene)benzohydrazide – dimethylformamide – water (1/1/2), C15H16N4O3·C3H7NO·2H2O
  16. Crystal structure of 3-(4-bromophenyl)-5-methyl-1H-pyrazole, C10H9BrN2
  17. Crystal structure of 1,10-phenanthrolinium bromide dihydrate, C12H9N2Br
  18. Crystal structure of N-(4′-chloro-[1,1′-biphenyl]-2-yl)formamide, C13H10ClNO
  19. The crystal structure of nitroterephthalic acid, C8H5NO6
  20. Crystal structure of (2-((4-bromo-2,6-dichlorophenyl)amino)phenyl) (morpholino)methanone, C17H15BrCl2N2O2
  21. Crystal structure of tetraaqua-bis(ethanol-κO)-tetrakis(μ2-trifluoroacetate-κ2O:O′)-bis(trifluoroacetate-κ2O)digadolinium(III) Gd2C16H20O18F18
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  23. The crystal structure of N,N′-((nitroazanediyl)bis(methylene))diacetamide, C6H12O4N4
  24. The crystal structure of [bis(2,2′-bipyridine-6-carboxylato-κ3N,N,O)magnesium(II)]dihydrate, C22H18N4O6Mg
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  27. The crystal structure of (4-hydroxybenzenesulfonate)-k1O-6,6′-((1E,1′E)- (ethane-1,2-diylbis(azaneylylidene))bis(methaneylylidene)) bis(2-methoxyphenol)-κ2N,N,μ2O,O,κ2O, O)-(methanol)-cobalt(II) sodium(I), C25H27CoN2NaO9S
  28. Crystal structure of (1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)(4-((2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)amino)piperidin-1-yl)methanone, C17H18F6N6O
  29. Crystal structure of bis{[(cyclohexylimino)(phenylimino)-l5-(methyl)diethylazane-κ2N:N′]-(ethyl)-zinc(II)]}, C38H62N6Zn2
  30. Crystal structure of 2-[(4-bromobenzyl)thio]-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole, C13H8Br2N2OS2
  31. Crystal structure of 10-methoxy-7,11b,12,13-tetrahydro-6H-pyrazino [2′,3′:5,6]pyrazino[2,1-a]isoquinoline, C15H16N4O
  32. The crystal structure of 1-propyl-2-nitro-imidazole oxide, C6H9N3O3
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  58. Crystal structure of catena-poly[bis(μ2-azido-k2N:N′)-(nitrato-K2N:N′)-bis(1,10-phenanthroline-K2N:N′)samarium(III)], C24H16N11O3Sm
  59. Crystal structure of (Z)-2-(4-((5-bromopentyl)oxy)benzylidene)-4,5,6-trimethoxybenzofuran-3(2H)-one, C23H25BrO6
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https://doi.org/10.1515/ncrs-2023-0279
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Articles in the same Issue

  1. Frontmatter
  2. New Crystal Structures
  3. The crystal structure of (N-([1,1′:4′,1″-terphenyl]-4,4′-diethyl)-2-(bis(pyridin-2-ylmethyl)amino)acetamide-κ4N,N,N″, O)tri(nitrato-kO, O′) samarium(III) - methanol - acetonitrile (1/1/1), C40H39SmN8O14
  4. The crystal structure of 6,6′-(((2-(dimethylamino)ethyl)azanediyl)bis(methylene))bis(2-chloro-4-methyl phenolate-κ4N,N′,O,O′)-(pyridine-2,6-dicarboxylato-N,O,O′)-titanium(IV), C27H27Cl2N3O6Ti
  5. N′-[(1E)-(4–Fluorophenyl)methylidene]adamantane-1-carbohydrazide, C18H21FN2O
  6. Crystal structure of 4-bromo-3-nitro-1H-pyrazole-5-carboxylic acid monohydrate, C4H2N3BrO4·H2O
  7. Crystal structure of dipyridine-k1N-tris(2,2,6,6-tetramethyl-5-oxohept-3-en-3-olato-k2O,O′)dysprosium(III), DyC43H67O6N2
  8. Crystal structure of cyclo[tetraiodido-bis{μ2-1-[(benzotriazol-1-yl)methyl]-1-H-1,3-(2-isopropyl-imidazol)-k2N:N}dicadmiun(II)], C26H30N10Cd2I4
  9. The crystal structure of tert-butyl (E)-3-(2-(benzylideneamino)phenyl)-1H-indole-1-carboxylate, C26H24N2O2
  10. The crystal structure of 4-(3-carboxy-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4- dihydroquinolin-7-yl)-2-methylpiperazin-1-ium 2,5-dihydroxybenzoate methanol solvate, C27H32FN3O9
  11. Crystal structure of (μ2-1-(4,4′-bipyridine-κ2N:N′)-bis[diaqua-(4-iodopyridine-2,6-dicarboxylato-κ3O,N,O′)–cobalt(II)], C24H20Co2I2N4O12
  12. The crystal structure of dimethyl 4,4′-(10,20-diphenylporphyrin-5,15-diyl)dibenzoate dichloromethane solvate, C49H36N4O4Cl2
  13. (E)-2-((E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene)hydrazine-1-carbothioamide C14H23N3S1
  14. The crystal structure of [1-(4-(trifluoromethyl)phenyl)-3,4-dihydroquinolin-2(1H)-one], C16H12F3NO
  15. Crystal structure of (E)-2-amino-N′-((3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl)methylene)benzohydrazide – dimethylformamide – water (1/1/2), C15H16N4O3·C3H7NO·2H2O
  16. Crystal structure of 3-(4-bromophenyl)-5-methyl-1H-pyrazole, C10H9BrN2
  17. Crystal structure of 1,10-phenanthrolinium bromide dihydrate, C12H9N2Br
  18. Crystal structure of N-(4′-chloro-[1,1′-biphenyl]-2-yl)formamide, C13H10ClNO
  19. The crystal structure of nitroterephthalic acid, C8H5NO6
  20. Crystal structure of (2-((4-bromo-2,6-dichlorophenyl)amino)phenyl) (morpholino)methanone, C17H15BrCl2N2O2
  21. Crystal structure of tetraaqua-bis(ethanol-κO)-tetrakis(μ2-trifluoroacetate-κ2O:O′)-bis(trifluoroacetate-κ2O)digadolinium(III) Gd2C16H20O18F18
  22. The crystal structure of dimethyl 4,4′-[10,20-bis(2,6-difluorophenyl)porphyrin-5,15-diyl]dibenzoate chloroform solvate, C50H32Cl6F4N4O4
  23. The crystal structure of N,N′-((nitroazanediyl)bis(methylene))diacetamide, C6H12O4N4
  24. The crystal structure of [bis(2,2′-bipyridine-6-carboxylato-κ3N,N,O)magnesium(II)]dihydrate, C22H18N4O6Mg
  25. Crystal structure of poly[diaqua-(bis(μ2-1,4-bis(imidazol-1-ylmethyl)benzene)-κ2N,N′] cobalt(II)-tetraqua-bis(1,4-bis(imidazol-1-ylmethyl)benzene)-κ1N)-cobalt(II) di(2,5-thiophenedicarboxylate) dihydrate, C68H76Co2N16O16S2
  26. Crystal structure of poly[chlorido-μ2-chlorido-(μ2-1-[(2-ethyl-4-methyl-1H-imidazol-1-yl)methyl]-1H-benzotriazole-κN:N’)cadmium(II)], C13H15CdN5Cl2
  27. The crystal structure of (4-hydroxybenzenesulfonate)-k1O-6,6′-((1E,1′E)- (ethane-1,2-diylbis(azaneylylidene))bis(methaneylylidene)) bis(2-methoxyphenol)-κ2N,N,μ2O,O,κ2O, O)-(methanol)-cobalt(II) sodium(I), C25H27CoN2NaO9S
  28. Crystal structure of (1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)(4-((2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)amino)piperidin-1-yl)methanone, C17H18F6N6O
  29. Crystal structure of bis{[(cyclohexylimino)(phenylimino)-l5-(methyl)diethylazane-κ2N:N′]-(ethyl)-zinc(II)]}, C38H62N6Zn2
  30. Crystal structure of 2-[(4-bromobenzyl)thio]-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole, C13H8Br2N2OS2
  31. Crystal structure of 10-methoxy-7,11b,12,13-tetrahydro-6H-pyrazino [2′,3′:5,6]pyrazino[2,1-a]isoquinoline, C15H16N4O
  32. The crystal structure of 1-propyl-2-nitro-imidazole oxide, C6H9N3O3
  33. The crystal structure of 3-nitrobenzene-1,2-dicarboxylic acid–2-ethoxybenzamide (1/1), C17H16N2O8
  34. The structure of RUB-1, (C8H16N)6[B6Si48O108], a boron containing levyne-type zeolite, occluding N-methyl-quinuclidinium in the cage-like pores
  35. The crystal structure of diaqua-(naphthalene-4,5-dicarboxylate-1,8-dicarboxylic anhydride-κ1O)-(4′-(4-(1H-benzimidazolyl-1-yl)phenyl)-2,2′:6′,2″-terpyridine-κ3N,N′,N″)–manganese(II) dihydrate, C42H27MnN5O9·2H2O
  36. Crystal structure of 6,6′-((1E,1′E)-hydrazine-1,2-diylidenebis(methanylylidene))bis (3-(3-bromopropoxy)phenol), C20H22Br2N2O4
  37. The crystal structure of 3-(2-hydroxyphenyl)-4-phenyl-6-(p-tolyl)-2H-pyran-2-one, C24H18O3
  38. Crystal structure of bis(μ2-2-(1,5-dimethyl–3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino)methyl)phenolato-κ4O:O,N,O′)-(nitrato-κ2O,O′)dicobalt(II), C36H32Co2N8O4
  39. Synthesis and crystal structure of (3E,5S,10S,13S,14S,17Z)-17-ethylidene-10,13-dimethylhexadecahydro-3H-cyclopenta[α] phenanthren-3-one O-(4-fluorobenzoyl) oxime, C28H36FNO2
  40. The crystal structure of 4-aminiumbiphenyl benzenesulfonate, C18H17NO3S
  41. Synthesis and crystal structure of 1-(7-hydroxy-3-(4-hydroxy-3-nitrophenyl)-4-oxo-4H-chromen-8-yl)-N,N-dimethylmethanaminiumnitrate, C18H17N3O9
  42. Crystal structure of N-(Ar)-N′-(Ar′)-formamidine, C14H12Br2N2O
  43. The crystal structure of 4-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-5-methyl-1H-imidazole, C16H11Cl2FN2
  44. Crystal structure of 1-(4–chlorophenyl)-4-benzoyl-3-methyl-1H-pyrazol-5-ol, C17H13ClN2O2
  45. The crystal structure of 5-amino-1-methyl-4-nitroimidazole, C4H6O2N4
  46. Crystal structure of 1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene-N,N′-bis(1,3-bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-1,3,2-diazaborol-2-yl)-l2-germenediamine, C63H94B2GeN8
  47. The crystal structure of (bromido, chlorido)-tricarbonyl-(5,5′-dimethyl-2,2′-bipyridine)-rhenium(I), C15H12Br0.2Cl0.8N2O3Re1
  48. Crystal structure of [N(E),N′(E)]-N,N′-(1,4-phenylenedimethylidyne)bis-3,5-bis(propan-2-yl)-1H-pyrazol-4-amine, C26H36N6
  49. The crystal structure of poly[2-(4-carboxypyridin-3-yl)terephthalpoly[diaqua-(μ4-2-(6-carboxylatopyridin-3-yl)terephthalato-κ5O,N:O′:O″,O‴)]) cadmium(II)] dihydrate, C28H20Cd3N2O16
  50. Crystal structure of [tetraaqua-bis((3-carboxy-5-(pyridin-4-yl)benzoate-κ1N)cobalt(II)] tetrahydrate, C26H32CoN2O16
  51. Crystal structure of bis(μ2-azido-κ2N:N)-tetrakis(azido-κ1N)-tetrakis(1,10-phenanthroline-κ2N,N′)dibismuth(III), C48H32N26Bi2
  52. Crystal structure of (Z)-N-(4-(4-(4-((4,5,6-trimethoxy-3-oxobenzofuran-2(3H)-ylidene)methyl)phenoxy)butoxy)phenyl)acetamide, C30H31NO8
  53. Crystal structure of poly[diaqua-(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2N:N′)-bis(μ2-5-carboxybenzene-1,3-dicarboxylato-O,O′:O″)-aqua-di-zinc dihydrate solvate], C27H28N4O16Zn2
  54. Crystal structure of 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)malononitrile, C12H14N2
  55. Crystal structure of chlorido-(5-nitro-2-phenylpyridine-κ2N,C)-[(methylsulfinyl)methane-κ1S]platinum(II), C13H13ClN2O3PtS
  56. The crystal structure of the co-crystal 1,4-dioxane–4,6-bis(nitroimino)-1,3,5-triazinan-2-one(2/1), C11H19N7O9
  57. Crystal structure of [N(E),N′(E)]-N,N′-(1,4-phenylenedimethylidyne)bis-3,5-dimethyl-1H-pyrazol-4-amine di-methanol solvate, C18H20N6·2(CH3OH)
  58. Crystal structure of catena-poly[bis(μ2-azido-k2N:N′)-(nitrato-K2N:N′)-bis(1,10-phenanthroline-K2N:N′)samarium(III)], C24H16N11O3Sm
  59. Crystal structure of (Z)-2-(4-((5-bromopentyl)oxy)benzylidene)-4,5,6-trimethoxybenzofuran-3(2H)-one, C23H25BrO6
  60. Crystal structure of bis(3,5-dimethyl-1H-pyrazol-4-ammonium) tetrafluoroterephthate, 2[C5H10N3][C8F4O4]
  61. Crystal structure of 2-amino-4-(2-fluoro-4-(trifluoromethyl)phenyl)-9-methoxy-1,4,5,6-tetrahydrobenzo[h]quinazolin-3-ium chloride, C20H18ClF4N3O
  62. Crystal structure of 6-(pyridin-3-yl)-1,3,5-triazine-2,4-diamine-sebacic acid (2/1), C13H17N6O2
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