Information card for entry 4000369

Structure parameters

• Formula: C40 H90 Mo2 O12 Si2
• Calculated formula: C40 H90 Mo2 O12 Si2
• SMILES: CC(O[Si](O[Mo](OC(C)(C)C)(OC(C)(C)C)[Mo](OC(C)(C)C)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(C)C
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 12.7732 ± 0.0005 Å
• b: 12.4173 ± 0.0005 Å
• c: 17.3864 ± 0.0007 Å
• α: 90°
• β: 102.3°
• γ: 90°
• Cell volume: 2694.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 154 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for all reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.0785
• Goodness-of-fit parameter for all reflections: 0.931
• Goodness-of-fit parameter for significantly intense reflections: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No