Information card for entry 8102265

Structure parameters

• Chemical name: [N,N'-(bis(2-phenoxyacetic)formylidene)propane-1,3-diamine-cobalt(II)] hexahydrate
• Formula: C21 H32 Co N2 O12
• Calculated formula: C21 H32 Co N2 O12
• Title of publication: Crystal structure of [N,N'-(bis(2-phenoxyacetic)formylidene)propane-1,3-diaminecobalt(II)] hexahydrate, [Co(C21H20N2O6)] · 6H2O
• Authors of publication: Zhan-Liang Wang; Dong-Sheng Zhu; Rong-Shun Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 3
• Pages of publication: 217
• a: 20.663 ± 0.001 Å
• b: 14.3391 ± 0.001 Å
• c: 17.6028 ± 0.0011 Å
• α: 90°
• β: 97.11 ± 0.001°
• γ: 90°
• Cell volume: 5175.4 ± 0.5 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: 0.0553
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No