Information card for entry 4038972

Structure parameters

• Formula: C26 H29 Mo2 O7 P W
• Calculated formula: C26 H29 Mo2 O7 P W
• SMILES: [Mo]1234567([Mo]89%10%11%12([W]1(C#[O])(C#[O])(C#[O])(C#[O])(C#[O])C38)([P]2(C(C)(C)C)C(C)(C)C)(C#[O])[cH]1[cH]9[cH]%10[cH]%11[cH]%121)(C#[O])[cH]1[cH]7[cH]6[cH]5[cH]41
• Title of publication: Reactions of the unsaturated methyl-bridged complexes [Mo2Cp2(μ-CH3)(μ-P Bu2)(CO)x] (x = 1, 2) towards transition metal carbonyls: convenient dehydrogenative route to heterometallic methylidyne-bridged clusters
• Authors of publication: Alvarez, M. Angeles; Casado-Ruano, Melodie; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.
• Journal of publication: Journal of Organometallic Chemistry
• Year of publication: 2022
• Journal volume: 959
• Pages of publication: 122206
• a: 10.4841 ± 0.0001 Å
• b: 20.5016 ± 0.0002 Å
• c: 13.3506 ± 0.0001 Å
• α: 90°
• β: 105.05 ± 0.001°
• γ: 90°
• Cell volume: 2771.16 ± 0.05 ų
• Cell temperature: 152 ± 3 K
• Ambient diffraction temperature: 152 ± 3 K
• Number of distinct elements: 6
• 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: 0.0281
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No