Information card for entry 4087051

Structure parameters

• Formula: C21 H18 Ge Mo2 O6
• Calculated formula: C21 H18 Ge Mo2 O6
• SMILES: [Mo]12345([Ge]([c]67[Mo]89%10%11(C#[O])(C#[O])(C#[O])[c]%121[cH]5[cH]4[cH]3[c]2%12C([c]68[cH]%11[cH]%10[cH]79)(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: 9.614 ± 0.003 Å
• b: 10.472 ± 0.004 Å
• c: 11.189 ± 0.004 Å
• α: 101.361 ± 0.006°
• β: 94.495 ± 0.006°
• γ: 92.575 ± 0.006°
• Cell volume: 1098.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0689
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No