Information card for entry 4072751

Structure parameters

• Formula: C31 H38 Mo2 N O2 P
• Calculated formula: C31 H38 Mo2 N O2 P
• SMILES: [Mo]123456([Mo]789%10([P]1(C1CCCCC1)C1CCCCC1)([N]2=Cc1ccccc1)(C#[O])[cH]1[cH]7[cH]8[cH]9[cH]%101)(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61
• Title of publication: Reactivity of the Unsaturated Hydride [Mo2(η5-C5H5)2(μ-H)(μ-PCy2)(CO)2] toward P-Donor Bidentate Ligands and Unsaturated N-Containing Organic Molecules
• Authors of publication: Alvarez, M. Angeles; García, M. Esther; Ramos, Alberto; Ruiz, Miguel A.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 6
• Pages of publication: 1461
• a: 9.2696 ± 0.0018 Å
• b: 10.598 ± 0.002 Å
• c: 28.384 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2788.4 ± 0.9 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No