Information card for entry 4307365

Structure parameters

• Formula: C80 H180 I Mo6 N5 O24
• Calculated formula: C80 H180 I Mo6 N5 O24
• SMILES: C([N+](CCCC)(CCCC)CCCC)CCC.[I]12345[O]6[Mo]78(O[Mo]96(O[Mo]6(O[Mo]%10(O[Mo]%11(O[Mo](O7)([O]18)([O]2%11)(=O)=O)([O]3%10)(=O)=O)([O]46)(=O)=O)([O]59)(=O)=O)(=O)=O)(=O)=O.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Protonation and Methylation of an Anderson-Type Polyoxoanion [IMo6O24]5-
• Authors of publication: Daisuke Honda; Shusaku Ikegami; Tomoaki Inoue; Tomoji Ozeki; Atsushi Yagasaki
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1464 - 1470
• a: 33.6101 ± 0.0003 Å
• b: 15.2575 ± 0.0001 Å
• c: 24.0294 ± 0.0002 Å
• α: 90°
• β: 126.957 ± 0.0003°
• γ: 90°
• Cell volume: 9846.7 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No