Information card for entry 4306347

Structure parameters

• Formula: C30 H72 Mo O2 P2 Si2
• Calculated formula: C30 H72 Mo O2 P2 Si2
• SMILES: [Mo]([P](C)(C)C)([P](C)(C)C)(O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Four-Coordinate Mo(II) as (silox)2Mo(PMe3)2 and Its W(IV) Congener (silox)2HW(η2-CH2PMe2)(PMe3) (silox =tBu3SiO)
• Authors of publication: David S. Kuiper; Peter T. Wolczanski; Emil B. Lobkovsky; Thomas R. Cundari
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10542 - 10553
• a: 9.2725 ± 0.0004 Å
• b: 28.0138 ± 0.0013 Å
• c: 15.0447 ± 0.0007 Å
• α: 90°
• β: 90.252 ± 0.003°
• γ: 90°
• Cell volume: 3907.9 ± 0.3 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: 0.0684
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No