Information card for entry 4327370

Structure parameters

• Formula: C41 H52 Mo12 N9 O46 P Zn4
• Calculated formula: C41 H32 Mo12 N9 O46 P Zn4
• Title of publication: A Novel Organic-Inorganic Hybrid Based on an 8-Electron-Reduced Keggin Polymolybdate Capped by Tetrahedral, Trigonal Bipyramidal, and Octahedral Zinc: Synthesis and Crystal Structure of (CH3NH3)(H2bipy)[Zn4(bipy)3(H2O)2MoV8MoVI4O36(PO4)].4H2O
• Authors of publication: Chong Lei; Jiang-Gao Mao; Yan-Qiong Sun; Jun-Ling Song
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1964 - 1968
• a: 17.3032 ± 0.0002 Å
• b: 17.8113 ± 0.0003 Å
• c: 23.4597 ± 0.0004 Å
• α: 90°
• β: 106.41 ± 0.001°
• γ: 90°
• Cell volume: 6935.58 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0821
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No