Information card for entry 7001613

Structure parameters

• Formula: C60 H92 Cl2 Co7 N12 O48
• Calculated formula: C60 H84 Cl2 Co7 N12 O48
• SMILES: c1cccc2C[N]34CC5=[O][Co]4([n]12)(OC(=O)C3)([OH2])[O]=C1C[N]23Cc4cccc[n]4[Co]3(O1)([O]=C1C[N]34Cc6cccc[n]6[Co]4(O5)(O1)(OC(=O)C3)[OH2])(OC(=O)C2)[OH2].[O-]Cl(=O)(=O)=O.[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].c1cccc2C[N]34CC5=[O][Co]4([n]12)([O]=C1C[N]24Cc6cccc[n]6[Co]4(O1)([O]=C1C[N]46Cc7cccc[n]7[Co]6(O1)(O5)(OC(=O)C4)[OH2])(OC(=O)C2)[OH2])(OC(=O)C3)[OH2].[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: 14.286 ± 0.002 Å
• b: 14.286 ± 0.002 Å
• c: 34.534 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6103.8 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No