Information card for entry 4343517

Structure parameters

• Formula: C8 H82 Ca10 Cu2 Mo36 N8 O175 P12
• Calculated formula: C8 H82 Ca10 Cu2 Mo36 N8 O175 P12
• Title of publication: Organic-Inorganic Hybrid Materials Based on Basket-like {Ca⊂P6Mo18O73} Cages.
• Authors of publication: Zhang, He; Yu, Kai; Lv, Jing-Hua; Gong, Li-Hong; Wang, Chun-Mei; Wang, Chun-Xiao; Sun, Di; Zhou, Bai-Bin
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 6744 - 6757
• a: 14.0771 ± 0.0012 Å
• b: 27.041 ± 0.002 Å
• c: 24.569 ± 0.002 Å
• α: 90°
• β: 102.344 ± 0.002°
• γ: 90°
• Cell volume: 9136.2 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• 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: 0.0728
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71072 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No