Information card for entry 7231885

Structure parameters

• Formula: C6 H35 Ca0 Cu Mo5 N6 O28.5 P2
• Calculated formula: C6 H24 Cu Mo5 N6 O28.5 P2
• Title of publication: A binuclear copper-substituted phosphomolybdate with reactive oxygen species catalytic ability and antimicrobial activity
• Authors of publication: Ma, Xiang; Zhang, Chao; Hua, Jiai; Ma, Pengtao; Wang, Jingping; Niu, Jingyang
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 3
• Pages of publication: 394
• a: 14.8162 ± 0.0009 Å
• b: 14.5193 ± 0.0009 Å
• c: 16.0799 ± 0.001 Å
• α: 90°
• β: 109.266 ± 0.001°
• γ: 90°
• Cell volume: 3265.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0178
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.0457
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No