Information card for entry 7011143

Structure parameters

• Common name: [Mo(CO)4{Si(NCH2tBu)2C6H4}2]
• Formula: C36 H52 Mo N4 O4 Si2
• Calculated formula: C36 H52 Mo N4 O4 Si2
• SMILES: C([Mo](C#[O])(=[Si]1N(c2c(cccc2)N1CC(C)(C)C)CC(C)(C)C)(C#[O])(C#[O])=[Si]1N(c2c(cccc2)N1CC(C)(C)C)CC(C)(C)C)#[O]
• Title of publication: [1 + 4]-Cycloadditions of silylenes to 2,4,6-tri-tert-butyl-1,3,5-triphosphabenzene
• Authors of publication: Scott B. Clendenning; Barbara Gehrhus; Peter B. Hitchcock; Daniel F. Moser; John F. Nixon; Robert West
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 4
• Pages of publication: 484 - 490
• a: 10.1949 ± 0.0003 Å
• b: 7.0615 ± 0.0001 Å
• c: 26.7601 ± 0.0009 Å
• α: 90°
• β: 90.555 ± 0.001°
• γ: 90°
• Cell volume: 1926.4 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0347
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No