Information card for entry 4316019

Structure parameters

• Formula: C60 H54 Cu3 Mo12 N12 O40 P
• Calculated formula: C60 H54 Cu3 Mo12 N12 O40 P
• Title of publication: Reaction Controlled Assemblies of Polyoxotungstates (-molybdates) and Coordination Polymers
• Authors of publication: Guangfeng Hou; Lihua Bi; Bao Li; Lixin Wu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 6474 - 6483
• a: 32.631 ± 0.004 Å
• b: 32.631 ± 0.004 Å
• c: 32.631 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 34745 ± 7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 206
• Hermann-Mauguin space group symbol: I a -3
• Hall space group symbol: -I 2b 2c 3
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No