Startseite The crystal structure of catena-poly[diaqua-m2-dicyanido-κ2 C:N-dicyanido-κ1 C-bis(4-(pyridin-4-yl)benzaldehyde-κ1N)iron(II)-platinum(II), C28H22N6O4PtFe
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The crystal structure of catena-poly[diaqua-m2-dicyanido-κ2 C:N-dicyanido-κ1 C-bis(4-(pyridin-4-yl)benzaldehyde-κ1N)iron(II)-platinum(II), C28H22N6O4PtFe

  • Jitao Lu , Xiaolin Wu , Youwei Zhang und Yufang Xiao ORCID logo EMAIL logo
Veröffentlicht/Copyright: 31. Mai 2023

Abstract

(C28H22N6O4PtFe) n , triclinic, P 1 (no. 2), a = 7.9137(6) Å, b = 8.5766(13) Å, c = 10.970(3) Å, α =  70.266 ( 19 ) ° , β =  81.258 ( 14 ) ° , γ =  78.728 ( 11 ) ° , V = 684.3(2) Å3, Z = 1, R gt (F) = 0.0408, wR ref (F 2) = 0.0657, T = 293 K.

CCDC no.: 2261330

Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters.

Table 1:

Data collection and handling.

Crystal: Yellow block
Size: 0.14 × 0.11 × 0.09 mm
Wavelength: Mo Kα radiation (0.71073 Å)
μ: 5.68 mm−1
Diffractometer, scan mode: Bruker APEX II, φ and ω
θ max, completeness: 25.0°, 99 %
N(hkl)measured , N(hkl)unique, R int: 4074, 2395, 0.050
Criterion for I obs, N(hkl)gt: I obs > 2σ(I obs), 2321
N(param)refined: 184
Programs: Bruker [1], SHELX [2, 3]
Table 2:

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

Atom x y z U iso*/U eq
Pt1 0.000000 1.000000 1.000000 0.01442 (12)
Fe1 0.500000 0.500000 1.000000 0.0156 (3)
O1 0.3749 (4) 0.3666 (4) 1.1818 (4) 0.0199 (10)
H1 0.331430 0.293034 1.171651 0.030*
H1A 0.453980 0.332884 1.229547 0.030*
O2 −0.4197 (6) 0.2552 (6) 0.3897 (5) 0.0408 (14)
N1 0.3124 (5) 0.7164 (6) 0.9912 (5) 0.0170 (12)
N2 −0.1901 (6) 0.8664 (6) 0.8318 (5) 0.0234 (13)
N3 0.3387 (5) 0.4127 (5) 0.8931 (5) 0.0154 (12)
C1 0.2018 (7) 0.8239 (7) 0.9923 (6) 0.0145 (13)
C2 −0.1211 (7) 0.9178 (7) 0.8908 (6) 0.0155 (14)
C3 0.3991 (7) 0.2964 (7) 0.8350 (6) 0.0184 (15)
H5 0.510773 0.239522 0.848918 0.022*
C4 0.3092 (7) 0.2543 (7) 0.7564 (6) 0.0185 (14)
H6 0.360874 0.174017 0.716980 0.022*
C5 0.1380 (7) 0.3336 (7) 0.7359 (6) 0.0157 (14)
C6 0.0735 (7) 0.4496 (7) 0.8011 (6) 0.0168 (14)
H8 −0.039914 0.504432 0.792965 0.020*
C7 0.1730 (7) 0.4849 (7) 0.8770 (6) 0.0166 (14)
H9 0.124002 0.562487 0.919498 0.020*
C8 0.0358 (7) 0.3003 (7) 0.6467 (6) 0.0158 (14)
C9 −0.1466 (7) 0.3392 (8) 0.6591 (7) 0.0261 (16)
H15 −0.202337 0.382739 0.724225 0.031*
C10 −0.2416 (8) 0.3129 (7) 0.5753 (7) 0.0247 (16)
H14 −0.361336 0.342311 0.582578 0.030*
C11 −0.1613 (8) 0.2424 (7) 0.4787 (7) 0.0242 (16)
C12 0.0176 (7) 0.2077 (7) 0.4655 (6) 0.0226 (15)
H12 0.073423 0.164987 0.399896 0.027*
C13 0.1146 (7) 0.2360 (7) 0.5492 (6) 0.0175 (14)
H11 0.234644 0.211105 0.539329 0.021*
C14 −0.2631 (9) 0.2194 (8) 0.3877 (7) 0.0332 (18)
H16 −0.204598 0.174367 0.324062 0.040*

1 Source of materials

All the chemical reagents were from commercial sources. To a solution of K2[Pt(CN)4] (0.10 mmol, 37.7 mg) in water/methanol (4:1, v:v) (10 mL), FeCl2 (0.10 mmol, 12.7 mg) dissolved in methanol and 4-(pyridin-4-yl)benzaldehyde (0.20 mmol, 36.6 mg) were carefully added in sequence. The resulting mixture was stirred for 1 min and filtered at once, then the filtrate was kept undisturbed at room temperature in the dark for about 1 week. The obtained title yellow block crystals were collected by filtration giving the yield of 46.3 mg (61.1 %).

2 Experimental details

For the H atom of the coordinated water molecule, the coordinates are appointed by the Q peaks with the rational distance from the Fourier map and the U iso value was set to 1.5U eq of the O atom.

3 Comment

The research on coordination polymers (CPs) with switch and memory functions has always been a subject of current interest in the search for new advanced materials with potential applications. Implementation of CPs with electronically labile iron(II) building blocks are able to undergo cooperative spin crossover (SCO) behavior [4], [5], [6]. The use of cyanide as bridging ligands has been proven to be a successful strategy for assembling Fe(II) nodes into a rich diversity of SCO CPs generically known as Hofmann-type compounds [7], [8], [9], [10]. In the current work, the reaction of K2[Pt(CN)4] as precursor with Fe(II) salt as spin center and 4-(pyridin-4-yl)benzaldehyde as mono-dentate terminal ligand was investigated, resulting in unexpectedly an one-dimensional PtFe complex.

As shown in Figure, two trans cyanide groups of [Pt(CN)4]2− anion functioning as bidentate ligand that link the Fe(II) cations, forming neutral one-dimensional infinite chains. The coordination sphere of the Pt ion is perfectly square planar. The bond parameters around the central Pt ion are almost equal to each other, indicating that the coordination or non-coordination of the N atom to the Fe(II) ion has no obvious influence on the geometry of the cyanide precursor. The Fe(II) ion defines a slightly disordered octahedral [FeN4O2] node with the equatorial positions occupied by four nitrogen atoms from the two cyano groups, which bridge the adjacent Fe(II) centers to define an array of the infinite linear chain. There are two terminal pyridyl ligands, while the axial positions are occupied by two O atoms of the coordinated water molecules. The Fe–Ncyano, Fe–Npyridyl and Fe–O bond lengths are 2.233(5), 2.122(4) and 2.137(4) Å, respectively. Under the help of the intermolecular O–H⋯N (O⋯N = 2.751(6) Å) hydrogen bonds between the O atom of the water molecule and the N atom of the cyanide group and O–H⋯O (O⋯O = 2.794(5) Å) hydrogen bonds interactions between the O atoms of the water molecule and the formyl group. Thus the 1D chains can be further constructed into 3D supramolecular network structure.


Corresponding author: Yufang Xiao, Discipline Construction and Graduate Education Department, Weifang University, Weifang, Shandong, 261061, P.R. China, E-mail:

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

  2. Research funding: Shandong Provincial Natural Science Foundation (ZR2019QB011).

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

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Received: 2023-03-26
Accepted: 2023-05-08
Published Online: 2023-05-31
Published in Print: 2023-08-28

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

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

Artikel in diesem Heft

  1. Frontmatter
  2. New Crystal Structures
  3. Crystal structure of a polymorph of potassium picrate, C6H2KN3O7
  4. The crystal structure of (1E,2E)-1,2-bis(quinolin-2-ylmethylene)hydrazine, C20H14N4
  5. 5-Amino-2-chloro-4-fluoro-N-(N-isopropyl-N-methylsulfamoyl) benzamide, C11H15O3ClFN3S
  6. Crystal structure of trans-N 1,N 8-bis(2-cyanoethyl)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane, C22H42N6
  7. The crystal structure of [N-{[2-(oxy)-4-methoxyphenyl](phenyl)methylidene}alaninato]-diphenyl-silicon(IV) – chloroform (1/1), C29H25NO4Si·CHCl3
  8. Crystal structure of tetracarbonyl-{μ-[N-(diphenylphosphanyl)-N,P,P-triphenylphosphinous amide]}-bis[μ-(phenylmethanethiolato)]diiron (Fe–Fe), C48H39Fe2NO4P2S2
  9. Crystal structure of baryte from Mine du Pradet (France)
  10. The crystal structure of [(2,2′-bipyridine-6-carboxylato-κ3 N,N,O)-(6-phenylpyridine-2-carboxylate-κ2 N,O)copper(II)] monohydrate, C23H17N3O5Cu
  11. Crystal structure of bis(μ-benzeneselenolato)-(μ-[N-benzyl-N-(diphenylphosphanyl)-P,P-diphenylphosphinous amide])-tetracarbonyl diiron (Fe–Fe), C47H37Fe2NO4P2Se2
  12. The crystal structure of diaqua-methanol-κ1 O- (3-thiophenecarboxylato-κO)-(2,2′-dipyridyl-κ2 N,N′)manganese(II) 3-thiophenecarboxylate, C21H22N2O7S2Mn
  13. Crystal structure of catena-poly[tetrakis(butyl)-μ2-2-((oxido(phenyl)methylene)hydrazineylidene)propanoato-κ4 O:O,O′,N-μ2-2-((oxido(phenyl)methylene)hydrazineylidene)propanoato-κ4 O,N,O′:N′-ditin(IV)], C34H50N6O6Sn2
  14. Crystal structure of 4-chloro-N′-[(1E)-(2-nitrophenyl)methylidene]benzohydrazide, C14H10ClN3O3
  15. The crystal structure of 3-(1′-deoxy-3′,5′-O-dibenzy-β-d-ribosyl)adenine dichloromethane solvate, C49H52Cl2N10O6
  16. The crystal structure of (Z)-4-amino-N′-(1-(o-tolyl)ethylidene)benzohydrazide, C16H17N3O
  17. The co-crystal structure of etoricoxib–phthalic acid (1/1), C18H15ClN2O2S·C8H6O4
  18. Crystal structure of (glycinto-κ 2 O,N )-[5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ 4 N,N ,N ,N ]nickel(II) perchlorate monohydrate C18H42ClN5NiO7
  19. The crystal structure of catena-poly[bis(1-ethylimidazole-k1 N)-(μ 2-benzene-1-carboxyl-3,5-dicarboxylato-κ 2 O, O′)zinc(II)], C19H20N4O6Zn
  20. Crystal structure of 3-(thiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, C11H12N2O4S
  21. Rietveld structure analysis of keatite, a rare, metastable SiO2 polymorph
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  23. Crystal structure of 3,5–di-O-benzoyl-1,2-O-isopropylidene-α–D-ribose, C22H22O7
  24. The crystal structure of fac-tricarbonyl(6-bromo-2,2-bipyridine-κ2 N,N)-(nitrato-κO)rhenium(I), C13H7BrN3O6Re
  25. The crystal structure of (E)-N′-(4-hydroxy-3-methoxybenzylidene)-2-naphthohydrazide monohydrate, C19H18N2O4
  26. The crystal structure of 5,5′-diselanediyl-bis(2-hydroxybenzaldehyde), C14H10O4Se2
  27. The crystal structure of catena-poly[diaqua-m2-dicyanido-κ2 C:N-dicyanido-κ1 C-bis(4-(pyridin-4-yl)benzaldehyde-κ1N)iron(II)-platinum(II), C28H22N6O4PtFe
  28. Redetermination of the crystal structure of 5,14-dihydro-6,17-dimethyl-8,15-diphenyldibenzo(b,i)(1,4,8,11)tetra-azacyclotetradecine, C32H28N4
  29. Crystal structure of poly[(μ3-2-(3,5-dicarboxyphenyl) benzimidazole-6-carboxylato-κ4O:O:O′:O″)lead(II)] monohydrate, C16H10N2O7Pb
  30. The crystal structure of fac-tricarbonyl(2-pyridin-2-yl-quinoline-κ2 N,N′)-(pyrazole-κN)rhenium(I)nitrate, C20H14N4O3ReNO3
  31. Crystal structure of dibromo-dicarbonyl-bis(tricyclohexylphosphine)-osmium(II) dichloromethane solvate, C38H66Br2O2OsP2
  32. Crystal structure of poly[bis(μ 2-2,6-bis(1-imidazoly)pyridine-κ 2 N:N′)copper(II)] diperchlorate dihydrate, C22H22Cl2CuN10O10
  33. The crystal structure of fac-tricarbonyl(N-benzoyl-N,N-cyclohexylmethylcarbamimidothioato-κ2 S,O)-(pyridine-κN)rhenium(I), C23H24N3O4ReS
  34. Crystal structure of (E)-7-fluoro-2-(4-fluorobenzylidene)-3,4-dihydronaphthalen-1(2H)-one, C17H12F2O
  35. Synthesis and crystal structure of 1-((3R,10S,13S, 17S)-3-((2-methoxyphenyl)amino)-10,13-dimethylhexadecahydro-1H-cyclopenta[α]phenanthren-17-yl)ethan-1-one, C28H41NO2
  36. The crystal structure of fac-tricarbonyl((pyridin-2-yl)methanamino-κ2 N,N′)-((pyridin-2-yl)methanamino-κN)rhenium(I) nitrate, C15H16O3N4Re
  37. The crystal structure of (1-(pyridin-2-yl)-N-(pyridin-2-ylmethyl)-N-((1-(4-vinylbenzyl)-1H-benzo[d]imidazol-2-yl)methyl)methanamine-κ 4 N,N′,N″,N‴)tris(nitrato-kO,O′)-erbium(III), C29H27ErN8O9
  38. Crystal structure of tetracene-5,12-dione, C18H10O2
  39. Crystal structure of (3R,3aS,6R,6aR)-6-hexyl-3-methyltetrahydrofuro[3,4-b]furan-2,4-dione, C13H20O4
  40. The crystal structure of N1,N3-bis((E)-thiophen-2-ylmethylene)isophthalohydrazide monohydrate, C18H16N4O3S2
  41. Crystal structure of methyl ((4-aminobenzyl)sulfonyl)-L-prolinate, C13H18N2O4S
  42. Crystal structure of (E)-3-(3-methoxybenzylidene)benzofuran-2(3H)-one, C16H12O3
  43. Synthesis and crystal structure (E)-1-(4-bromo-2-hydroxyphenyl)-3-(dimethylamino)prop-2-en-1-one, C11H12BrNO2
  44. Synthesis and crystal structure of (S,E)-4-hydroxy-3-(2-((4aR,6aS,7R,10aS,10bR)-3,3,6a,10b-tetramethyl-8-methylenedecahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl)ethylidene)dihydrofuran-2(3H)-one, C23H34O5
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  46. The crystal structure of 1-ethyl-2-nitro-imidazole oxide, C5H7N3O3
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  49. Synthesis and crystal structure of 3-methyl-2-(methylthio)-4H-chromen-4-one, C12H12O2S
  50. Crystal structure of dithieno[2,3-d:2′,3′-d′]benzo[1,2-b:4,5-b′]dithiophene-5,10-dione, C14H4O2S4
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  54. The crystal structure of 2-amino-4-carboxypyridin-1-ium perchlorate, C6H7ClN2O6
  55. The crystal structure of catena-poly[5-aminonicotinic acid-k1 N-m2-bromido-copper(I)], Cu(C6N2H6O2)Br
  56. The crystal structure of 2,2-bis(3-methoxyphenyl)-1-tosyl-1,2-dihydro- 4,3λ4  -[1,3,2]diazaborolo[4,5,1-ij]quinoline - dichloromethane (1/1)
  57. The crystal structure of catena-poly[bis(6-phenylpyridine-2-carboxylato-κ2 N,O)-(μ2-4,4′-bipyridne-κ2 N:N)cadmium(II)], C34H24N4O4Cd
  58. The crystal structure of 5,7-dinitropyrazolo[5,1-b]quinazolin-9(4H)-one, C10H5N5O5
  59. Crystal structure of rac-1,8-bis(2-carbamoylethyl)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane, C22H46N6O2
  60. The crystal structure of (E)-N -(2-bromobenzylidene)-2-naphthohydrazide, C36H26Br2N4O2
  61. The crystal structure of 5-nitronaphthoquinone, C10H5NO4
  62. The crystal structure of (S, R p )-4–benzhydrylideneamino-12-(4-tert-butyl oxazolin-2-yl)[2.2]paracyclophane, C36H36N2O
  63. Synthesis and crystal structure of 2-(2-oxo-2-(o-tolyl)ethyl)-4H-chromen-4-one, C18H14O3
  64. Crystal structure of 2-(thiazol-2-yl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione, C11H10N2O3S
  65. Crystal structure of N-(diaminomethylene)-1-(dimethylamino)-1-iminiomethanaminium dichloride, C4H13Cl2N5
  66. Crystal structure of poly[(μ3-3, 5-dichloro-2-hydroxy-benzoato-κ4 Cl,O:O′:O″) silver(I)], C7H3AgCl2O3
  67. The crystal structure of tetrakis(1-isopropylimidazole-κ1 N)-[μ2- imidazole-4,5-dicarboxylato-κ4 O,N,O′,N′)]- trioxido-divanadium, C29H41N10O7V2
  68. Crystal structure of catena-[(μ3-bromido)-(1H-1,2,4-triazol-1-yl)benzoato-κ1 N)copper(I)], C9H7BrCuN3O2
  69. The crystal structure of (E)-4-fluoro-N′-(1-(2-hydroxyphenyl)propylidene)benzohydrazide, C16H15FN2O2
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