Information card for entry 4087046

Structure parameters

• Formula: C31 H22 Mo2 O6 Si
• Calculated formula: C31 H22 Mo2 O6 Si
• SMILES: [Mo]1234(C#[O])(C#[O])(C#[O])[c]56[Si]([c]78[Mo]9%10%11(C#[O])(C#[O])(C#[O])[c]7([cH]9[cH]%10[cH]8%11)C([c]46[cH]3[cH]2[cH]15)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Reactions of Doubly Bridged Biscyclopentadienes with Molybdenum (Tungsten) Carbonyl
• Authors of publication: Wang, Baiquan; Zhu, Bolin; Xu, Shansheng; Zhou, Xiuzhong
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Journal issue: 24
• Pages of publication: 4842 - 4852
• a: 11.352 ± 0.005 Å
• b: 15.051 ± 0.006 Å
• c: 16.731 ± 0.007 Å
• α: 90°
• β: 101.09 ± 0.03°
• γ: 90°
• Cell volume: 2805 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No