Information card for entry 4067445

Structure parameters

• Formula: C28 H35 Fe Mo2 O6 P
• Calculated formula: C28 H35 Fe Mo2 O6 P
• SMILES: [Mo]1234567([Mo]89%10%11%12([Fe]1([O]38C)(C#[O])(C#[O])C#[O])([P]2(C1CCCCC1)C1CCCCC1)(C#[O])[cH]1[cH]9[cH]%10[cH]%11[cH]%121)(C#[O])[cH]1[cH]4[cH]5[cH]6[cH]71
• 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: 9.7313 ± 0.0003 Å
• b: 20.2819 ± 0.0007 Å
• c: 16.6023 ± 0.0006 Å
• α: 90°
• β: 118.749 ± 0.001°
• γ: 90°
• Cell volume: 2872.87 ± 0.17 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: 0.1064
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1902
• Weighted residual factors for all reflections included in the refinement: 0.2239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No