Information card for entry 7001611

Structure parameters

• Formula: C30 H36 Cl Mn3 N6 Na O19
• Calculated formula: C30 H36 Cl Mn3 N6 Na O19
• SMILES: c1cccc2C[N]34CC5=[O][Mn]6789[N](Cc%10cccc[n]6%10)(CC6=[O][Mn]%10%11%12%13[N](Cc%14cccc[n]%10%14)(CC%10=[O][Mn]%144([n]12)(OC(=O)C3)[O]5[Na]([O]%12%10)([O]86)([OH2]%14)([OH2]%13)[OH2]9)CC(=O)O%11)CC(=O)O7.[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: 14.1511 ± 0.0005 Å
• b: 14.1511 ± 0.0005 Å
• c: 11.1513 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1933.91 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0512
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No