Information card for entry 4087047

Structure parameters

• Formula: C19 H14 Mo2 O6 Si
• Calculated formula: C19 H14 Mo2 O6 Si
• SMILES: [Mo]12345([Mo]6789([c]%10%11C[c]%121[cH]2[cH]3[cH]4[c]5%12[Si]([c]9%11[cH]8[cH]7[cH]6%10)(C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• 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: 10 ± 0.003 Å
• b: 13.87 ± 0.005 Å
• c: 14.489 ± 0.005 Å
• α: 90°
• β: 96.7 ± 0.006°
• γ: 90°
• Cell volume: 1995.9 ± 1.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No