Information card for entry 4335619

Structure parameters

• Formula: C6 H62 Mo12 N8 O67 P2
• Calculated formula: C6 H2 Mo12 N8 O67 P2
• Title of publication: Carboxylate-Functionalized Phosphomolybdates: Ligand-Directed Conformations
• Authors of publication: Donghui Yang; Suzhi Li; Pengtao Ma; Jingping Wang; Jingyang Niu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8987 - 8992
• a: 11.8644 ± 0.0008 Å
• b: 13.909 ± 0.0009 Å
• c: 22.4975 ± 0.0015 Å
• α: 96.106 ± 0.001°
• β: 98.696 ± 0.001°
• γ: 100.23 ± 0.001°
• Cell volume: 3577.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No