Information card for entry 4067446

Structure parameters

• Formula: C29 H35 Fe Mo2 O6 P
• Calculated formula: C29 H35 Fe Mo2 O6 P
• SMILES: [Mo]123456789([Mo]%10%11%12%13%14([Fe]1(C4=O)(C#[O])(C#[O])(C#[O])[C]5(=[O]3%10)C)([P]2(C1CCCCC1)C1CCCCC1)(C#[O])[cH]1[cH]%14[cH]%13[cH]%12[cH]%111)[cH]1[cH]6[cH]7[cH]8[cH]91
• 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: 10.267 ± 0.0002 Å
• b: 18.524 ± 0.0004 Å
• c: 15.1115 ± 0.0004 Å
• α: 90°
• β: 91.566 ± 0.001°
• γ: 90°
• Cell volume: 2872.92 ± 0.11 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: 0.0621
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No