Information card for entry 4302438

Structure parameters

• Formula: C12 H12 Mo3 N6 O12 Zn
• Calculated formula: C12 H12 Mo3 N6 O12 Zn
• Title of publication: Investigation of Flexible Organic Ligands in the Molybdate System: Delicate Influence of a Peripheral Cluster Environment on the Isopolymolybdate Frameworks
• Authors of publication: Bao-xia Dong; Qiang Xu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 5861 - 5873
• a: 8.89 ± 0.0018 Å
• b: 29.9 ± 0.006 Å
• c: 8.18 ± 0.0016 Å
• α: 90°
• β: 104.06 ± 0.03°
• γ: 90°
• Cell volume: 2109.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No