Information card for entry 2216283

Structure parameters

• Chemical name: Bis[μ-2-(3-pyridyl)benzimidazole]bis[bis(3,5-dicarboxybenzoato)silver(I)]
• Formula: C42 H28 Ag2 N6 O12
• Calculated formula: C42 H28 Ag2 N6 O12
• SMILES: c1ccc2c[n]1[Ag]([n]1c(c3ccc[n]([Ag]([n]4c2[nH]c2c4cccc2)OC(=O)c2cc(C(=O)O)cc(c2)C(=O)O)c3)[nH]c2c1cccc2)OC(=O)c1cc(C(=O)O)cc(C(=O)O)c1
• Title of publication: Bis[μ-2-(3-pyridyl)benzimidazole]bis[bis(3,5-dicarboxybenzoato)silver(I)]
• Authors of publication: Xia, Chang-Kun; Wu, Wen; Qiu, Lin; Xie, Ji-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2881 - m2881
• a: 14.573 ± 0.003 Å
• b: 7.716 ± 0.0015 Å
• c: 16.662 ± 0.004 Å
• α: 90°
• β: 105.038 ± 0.003°
• γ: 90°
• Cell volume: 1809.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0324
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes