Information card for entry 4345806

Structure parameters

• Formula: C45 H53.5 Cu7 Mn4 N5 O30
• Calculated formula: C45.0002 H62.0004 Cu7 Mn4 N5 O30
• Title of publication: Cluster Organic Frameworks Constructed from Heterometallic Supertetrahedral Cluster Secondary Building Units.
• Authors of publication: Lin, Li-Dan; Li, Xin-Xiong; Qi, Yan-Jie; Ma, Xiang; Zheng, Shou-Tian
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 4636 - 4643
• a: 17.1184 ± 0.0008 Å
• b: 17.1184 ± 0.0008 Å
• c: 42.734 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10845 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.1168
• Residual factor for significantly intense reflections: 0.0959
• Weighted residual factors for significantly intense reflections: 0.2778
• Weighted residual factors for all reflections included in the refinement: 0.2921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No