Information card for entry 4067447

Structure parameters

• Formula: C28 H35 Fe Mo2 O5 P
• Calculated formula: C28 H35 Fe Mo2 O5 P
• SMILES: [Mo]1234567([Mo]89%10%11%12([Fe]1(C#[O])(C#[O])(C#[O])C38C)([P]2(C1CCCCC1)C1CCCCC1)(=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: 8.4495 ± 0.0002 Å
• b: 16.7274 ± 0.0002 Å
• c: 20.156 ± 0.0004 Å
• α: 90°
• β: 100.35 ± 0.001°
• γ: 90°
• Cell volume: 2802.46 ± 0.09 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: 0.0386
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.276
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No