Information card for entry 4078318

Structure parameters

• Formula: C26 H34 Fe2 O4 Si2
• Calculated formula: C26 H34 Fe2 O4 Si2
• SMILES: [Fe]12345([Fe]6789([c]%10%11[Si]([c]%121[c]2([Si]([c]6%10[cH]7[c]8([cH]9%11)C(C)(C)C)(C)C)[cH]3[c]4([cH]5%12)C(C)(C)C)(C)C)(C#[O])C#[O])(C#[O])C#[O]
• 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: 10.736 ± 0.003 Å
• b: 11.049 ± 0.003 Å
• c: 14.441 ± 0.004 Å
• α: 72.644 ± 0.004°
• β: 70.492 ± 0.004°
• γ: 61.016 ± 0.004°
• Cell volume: 1393 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0337
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No