Information card for entry 4038973

Structure parameters

• Formula: C25 H31 Fe Mo2 O6 P
• Calculated formula: C25 H31 Fe Mo2 O6 P
• SMILES: [Mo]123456789([Mo]%10%11%12%13%14([Fe]1(C4=O)(C#[O])(C#[O])(C#[O])C5([O]3%10)C)([P]2(C(C)(C)C)C(C)(C)C)(C#[O])[cH]1[cH]%14[cH]%13[cH]%12[cH]%111)[cH]1[cH]9[cH]8[cH]7[cH]61
• 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: 17.3932 ± 0.0003 Å
• b: 17.6468 ± 0.0002 Å
• c: 18.7329 ± 0.0004 Å
• α: 90°
• β: 113.905 ± 0.002°
• γ: 90°
• Cell volume: 5256.55 ± 0.18 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0429
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No