Information card for entry 4087054

Structure parameters

• Formula: C27 H30 Mo2 O6
• Calculated formula: C27 H30 Mo2 O6
• SMILES: [Mo]12345([Mo]6789(C#[O])(C#[O])(C#[O])[c]%10([cH]9[cH]8[c]7([cH]6%10)C(C)(C)C)C([c]61[cH]2[cH]3[c]4([cH]56)C(C)(C)C)(C)C)(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: 16.53 ± 0.007 Å
• b: 9.453 ± 0.004 Å
• c: 19.501 ± 0.008 Å
• α: 90°
• β: 114.838 ± 0.006°
• γ: 90°
• Cell volume: 2765 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0822
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No