Information card for entry 4000370

Structure parameters

• Formula: C56 H132 B2 Mo2 N4 O18 Si4
• Calculated formula: C56 H132 B2 Mo2 N4 O18 Si4
• SMILES: CN([Mo]([Mo](N(C)C)(N(C)C)OB(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(N(C)C)OB(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)C
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 15.6091 ± 0.0002 Å
• b: 13.3064 ± 0.0003 Å
• c: 19.4502 ± 0.0004 Å
• α: 90°
• β: 93.721 ± 0.001°
• γ: 90°
• Cell volume: 4031.31 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 145 ± 2 K
• Number of distinct elements: 7
• 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: 0.0727
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections: 0.1165
• Weighted residual factors for significantly intense reflections: 0.0861
• Goodness-of-fit parameter for all reflections: 1.008
• Goodness-of-fit parameter for significantly intense reflections: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No