Information card for entry 2227158

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaquacadmium(II)]-bis[μ-3,5- bis(isonicotinamido)benzoato]] tetrahydrate]
• Formula: C38 H38 Cd N8 O14
• Calculated formula: C38 H38 Cd N8 O14
• SMILES: [Cd]1(OC(=O)c2cc(cc(c2)NC(=O)c2cc[n](cc2)[Cd](OC(=O)c2cc(cc(c2)NC(=O)c2cc[n]1cc2)NC(=O)c1ccncc1)([OH2])[OH2])NC(=O)c1ccncc1)([OH2])(OC(=O)c1cc(cc(c1)NC(=O)c1ccncc1)NC(=O)c1ccncc1)([n]1ccc(cc1)C(=O)Nc1cc(C(=O)[O-])cc(c1)NC(=O)c1ccncc1)[OH2].O.O.O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[diaquacadmium(II)]-bis[μ-3,5-bis(isonicotinamido)benzoato]] tetrahydrate]
• Authors of publication: Chen, Man-Sheng; Deng, Yi-Fang; Zhang, Chun-Hua; Kuang, Dai-Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1253 - m1254
• a: 17.584 ± 0.003 Å
• b: 10.8568 ± 0.0019 Å
• c: 21.891 ± 0.004 Å
• α: 90°
• β: 103.801 ± 0.002°
• γ: 90°
• Cell volume: 4058.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes