Information card for entry 4306344

Structure parameters

• Formula: C28 H62 Cl3 Mo O3 Si2
• Calculated formula: C28 H62 Cl3 Mo O3 Si2
• SMILES: C(C)(C)(C)[Si](C(C)(C)C)(C(C)(C)C)O[Mo]([O]1CCCC1)(Cl)(Cl)(O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)Cl
• 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: 8.7262 ± 0.0008 Å
• b: 15.4639 ± 0.0017 Å
• c: 27.145 ± 0.002 Å
• α: 90°
• β: 96.374 ± 0.003°
• γ: 90°
• Cell volume: 3640.3 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No