Information card for entry 4316018

Structure parameters

• Formula: C42 H42 Cu3 N12 O40 P W12
• Calculated formula: C42 H42 Cu3 N12 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: 12.029 ± 0.006 Å
• b: 12.671 ± 0.005 Å
• c: 13.429 ± 0.005 Å
• α: 102.34 ± 0.015°
• β: 109.3 ± 0.016°
• γ: 105.49 ± 0.017°
• Cell volume: 1756 ± 1.3 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: 0.0704
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No