Information card for entry 4067442

Structure parameters

• Formula: C30 H33 Mo2 O7 P W
• Calculated formula: C30 H33 Mo2 O7 P W
• SMILES: [Mo]12345([P](C6CCCCC6)(C6CCCCC6)[Mo]6789(C3[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C#[O])[cH]3[cH]9[cH]6[cH]7[cH]83)(C#[O])[cH]3[cH]4[cH]5[cH]2[cH]31
• Title of publication: Heterometallic Derivatives of the Unsaturated Methyl-Bridged Complex [Mo2(η5-C5H5)2(μ-CH3)(μ-PCy2)(CO)2]. Photochemical Generation of Methylidyne-Bridged Clusters
• Authors of publication: Alvarez, M. Angeles; García, M. Esther; Martínez, M. Eugenia; Ruiz, Miguel A.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 4
• Pages of publication: 904
• a: 10.0848 ± 0.0003 Å
• b: 15.5653 ± 0.0003 Å
• c: 19.2321 ± 0.0006 Å
• α: 90°
• β: 95.862 ± 0.001°
• γ: 90°
• Cell volume: 3003.13 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0666
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No