Information card for entry 4304664

Structure parameters

• Formula: C66 H101 Co3 N8 O42.5
• Calculated formula: C66 H40 Co3 N8 O42.5
• Title of publication: Self-Encapsulation of [MII(phen)2(H2O)2]2+ (M = Co, Zn) in One-Dimensional Nanochannels of [MII(H2O)6(BTC)2]4- (M = Co, Cu, Mn): A High HQ/CAT Ratio Catalyst for Hydroxylation of Phenols
• Authors of publication: Jianhong Bi; Lingtao Kong; Zixiang Huang; Jinhuai Liu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4564 - 4569
• a: 12.738 ± 0.003 Å
• b: 19.127 ± 0.004 Å
• c: 18.04 ± 0.004 Å
• α: 90°
• β: 90.916 ± 0.002°
• γ: 90°
• Cell volume: 4394.7 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.2209
• Weighted residual factors for all reflections included in the refinement: 0.2511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No