Information card for entry 4316015

Structure parameters

• Formula: C56 H56 Cu3 N16 O40 P W12
• Calculated formula: C56 H56 Cu3 N16 O40 P W12
• 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: 11.4435 ± 0.001 Å
• b: 14.1436 ± 0.0012 Å
• c: 15.401 ± 0.002 Å
• α: 111.463 ± 0.002°
• β: 97.523 ± 0.002°
• γ: 109.784 ± 0.001°
• Cell volume: 2088.5 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No