Information card for entry 4509693

Structure parameters

• Formula: As6 H20 Mo6 N2 Na2 Ni O36
• Calculated formula: As6 Mo6 Na2 Ni O38
• SMILES: O1[As]2[O]34[Mo]56(=O)(=O)O[Mo]74([O]48[Mo]9([O]%10%11[As]1O[As]([O]1%12[Mo]%13%14(=O)(=O)O[Mo]%12([O]%125[Ni]34%101[O]%13([As]1O[As]%12O[As]8O1)[Mo]%11(O9)(=O)(=O)O%14)(=O)(=O)O6)O2)(=O)(=O)O7)(=O)=O.O.O.[Na+].O.O.O.[Na+].O.O.O
• Title of publication: Three Hybrid Organic−Inorganic Assemblies Based on Different Arsenatomolybdates and CuII−Organic Units
• Authors of publication: Li, Lili; Liu, Bin; Xue, Ganglin; Hu, Huaiming; Fu, Feng; Wang, Jiwu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 12
• Pages of publication: 5206
• a: 15.2475 ± 0.0011 Å
• b: 15.2475 ± 0.0011 Å
• c: 15.2475 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3544.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No