Information card for entry 4070255

Structure parameters

• Formula: C28 H37 Mo2 N2 O2 P
• Calculated formula: C28 H37 Mo2 N2 O2 P
• SMILES: [Mo]12345([P](C6CCCCC6)(C6CCCCC6)[Mo]6789%10(N=O)([C]%111=[CH]7C=CC=C%11)[cH]1[cH]6[cH]%10[cH]9[cH]81)(N=O)[cH]1[cH]3[cH]4[cH]5[cH]21
• 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: 14.7493 ± 0.0008 Å
• b: 19.0347 ± 0.0011 Å
• c: 18.8952 ± 0.0008 Å
• α: 90°
• β: 93.055 ± 0.002°
• γ: 90°
• Cell volume: 5297.3 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0545
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No