Information card for entry 4306345

Structure parameters

• Formula: C27 H63 Cl2 Mo O2 P Si2
• Calculated formula: C27 H63 Cl2 Mo O2 P Si2
• SMILES: [Mo](Cl)(Cl)([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: 8.5082 ± 0.0006 Å
• b: 15.5481 ± 0.001 Å
• c: 26.5089 ± 0.0017 Å
• α: 90°
• β: 97.07 ± 0.003°
• γ: 90°
• Cell volume: 3480.1 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• 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: 0.032
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No