Information card for entry 4501758

Structure parameters

• Chemical name: [Zn8Co(F1)5(124-btac)6(H2O)5]-12.7(H2O)
• Formula: C129 H113.4 Co N30 O53.7 Zn8
• Calculated formula: C129 H78 Co N30 O53.7 Zn8
• Title of publication: Ligand-Directed and pH-Controlled Assembly of Chiral 3d−3d Heterometallic Metal−Organic Frameworks
• Authors of publication: Su, Zhi; Fan, Jian; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 8
• Pages of publication: 3515
• a: 19.91 ± 0.003 Å
• b: 19.91 ± 0.003 Å
• c: 20.117 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6906.2 ± 1.8 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.2111
• Weighted residual factors for all reflections included in the refinement: 0.2223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No