Information card for entry 4307366

Structure parameters

• Formula: C64 H145 I Mo6 N4 O24
• Calculated formula: C64 H144 I Mo6 N4 O24
• SMILES: C(CCC)[N+](CCCC)(CCCC)CCCC.[I]12345[O]6[Mo]78(=O)(O[Mo]96(O[Mo]6(O[Mo]%10(O[Mo]%11(O[Mo](O7)([O]3%11)([O]58)(=O)=O)([O]1%10)(=O)=O)([O]46)(=O)=O)([O]29)(=O)=O)(=O)=O)=O.[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: 9.5587 ± 0.0001 Å
• b: 24.1364 ± 0.0002 Å
• c: 18.2788 ± 0.0002 Å
• α: 90°
• β: 90.156 ± 0.001°
• γ: 90°
• Cell volume: 4217.13 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0426
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No