Information card for entry 4070253

Structure parameters

• Formula: C30 H39 Mo2 N2 O3 P
• Calculated formula: C30 H39 Mo2 N2 O3 P
• SMILES: [Mo]1234([P](C5CCCCC5)(C5CCCCC5)[Mo]5678(N=O)(C#[O])[cH]9[cH]6[cH]7[cH]8[cH]95)(N=O)([cH]5[cH]2[cH]3[cH]4[cH]51)Cc1ccccc1
• Title of publication: Migration and Insertion Processes in the Reactions of the Hydrocarbyl-Bridged Unsaturated Complexes [Mo2(η5-C5H5)2(μ-R)(μ-PCy2)(CO)2] (R = Me, CH2Ph, Ph) with CO and NO
• Authors of publication: Alvarez, M. Angeles; García, M. Esther; Martínez, M. Eugenia; Ramos, Alberto; Ruiz, Miguel A.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 21
• Pages of publication: 6293
• a: 9.1055 ± 0.0001 Å
• b: 33.0473 ± 0.0003 Å
• c: 9.7529 ± 0.0001 Å
• α: 90°
• β: 105.342 ± 0.002°
• γ: 90°
• Cell volume: 2830.18 ± 0.06 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: 0.0422
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No