Information card for entry 2224419

Structure parameters

• Chemical name: Poly[bis(4,4'-bipyridine)(μ~3~-4,4'-dicarboxybiphenyl-3,3'- dicarboxylato)iron(II)]
• Formula: C36 H24 Fe N4 O8
• Calculated formula: C36 H24 Fe N4 O8
• SMILES: [Fe]123([n]4ccc(cc4)c4ccncc4)([n]4ccc(c5ccncc5)cc4)[O]=C(c4c(ccc(c5cc(c(C(=O)O)cc5)C(=O)O[Fe]5([n]6ccc(cc6)c6ccncc6)([n]6ccc(c7ccncc7)cc6)[O]=C(c6c(ccc(c7cc(c(C(=O)O)cc7)C(=[O][Fe]78(OC(c9cc(c%10ccc(c(C%11=[O][Fe]([n]%12ccc(cc%12)c%12ccncc%12)([n]%12ccc(c%13ccncc%13)cc%12)(O%11)OC(=O)c%11cc(c%12ccc(c(C(=[O]7)O8)c%12)C(=O)O)ccc%11C(=O)O)c%10)C(=O)O)ccc9C(=O)O)=[O]3)([n]3ccc(cc3)c3ccncc3)[n]3ccc(c7ccncc7)cc3)O2)c6)C(=O)O)O5)c4)C(=O)O)O1
• Title of publication: Poly[bis(4,4'-bipyridine)(μ~3~-4,4'-dicarboxybiphenyl-3,3'-dicarboxylato)iron(II)]
• Authors of publication: Meng, Qun-Hui; Lai, Hui-Ling; Lu, Han; Luo, Yi-Fan; Zeng, Rong-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1537 - m1538
• a: 11.9569 ± 0.0013 Å
• b: 24.114 ± 0.003 Å
• c: 10.7232 ± 0.0012 Å
• α: 90°
• β: 105.855 ± 0.001°
• γ: 90°
• Cell volume: 2974.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes