Information card for entry 4310250

Structure parameters

• Formula: C64 H153 I Mo9 N4 O37
• Calculated formula: C64 H144 I Mo9 N4 O37
• SMILES: [I]12345[O]6[Mo]78(=O)(=O)[O]9[Mo]%106(=O)(=O)O[Mo]6(=O)(=O)(=O)[O]4[Mo]4%11(O[Mo]%12([O]3[Mo](O8)(=O)(=O)(=O)O%12)(=O)([O]%11[Mo]3([O]5[Mo](O[Mo]9(=O)(=O)([O]1%10)[O]27)(=O)(=O)(=O)O3)(O4)(=O)=O)=O)(O6)=O.O.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Methoxide of an Anderson-Type Polyoxometalate and Its Conversion to a New Type of Species, [IMo9O32(OH)(OH2)3]4-
• Authors of publication: Daisuke Honda; Tomoji Ozeki; Atsushi Yagasaki
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9616 - 9618
• a: 24.549 ± 0.001 Å
• b: 17.979 ± 0.001 Å
• c: 22.86 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10089.6 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1729
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.3282 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No