Information card for entry 4078316

Structure parameters

• Formula: C56 H72 Mo4 O12 Si4
• Calculated formula: C56 H72 Mo4 O12 Si4
• Title of publication: Reactions of Doubly SiMe2-Bridged Bis(cyclopentadienyl) Complexes of Molybdenum and Iron Carbonyls: Competitive Ring-to-Metal Migrations of Hydrogen and SiMe2
• Authors of publication: Zhu, Bolin; Chen, Yunfei; Shi, Wei; Li, Yuan; Hao, Xiaoting
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 10
• Pages of publication: 4046
• a: 8.5329 ± 0.0018 Å
• b: 13.193 ± 0.003 Å
• c: 13.927 ± 0.003 Å
• α: 86.495 ± 0.004°
• β: 78.609 ± 0.003°
• γ: 89.343 ± 0.004°
• Cell volume: 1534.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No