Information card for entry 7001612

Structure parameters

• Formula: C30 H38 Cl Co3 N6 Na O20
• Calculated formula: C30 H36 Cl Co3 N6 Na O20
• SMILES: c1cccc2C[N]34CC5=[O][Co]6789[n]%10ccccc%10C[N]6(CC6=[O][Co]%10%11%12%13[n]%14ccccc%14C[N]%10(CC%10=[O][Co]%144([n]12)([O]5[Na]([OH2]%14)([OH2])([O]%11%10)([O]76)([OH2]%13)[OH2]9)OC(=O)C3)CC(=O)O%12)CC(=O)O8.[O-]Cl(=O)(=O)=O
• Title of publication: Metal complexes with N-(2-pyridylmethyl)iminodiacetate: from discrete polynuclear compounds to 1D coordination polymers
• Authors of publication: Chen, Zilu; Li, Yan; Jiang, Chunfang; Liang, Fupei; Song, You
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 27
• Pages of publication: 5290 - 5299
• a: 14.0737 ± 0.0004 Å
• b: 14.0737 ± 0.0004 Å
• c: 11.1831 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1918.27 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No