Information card for entry 4087629

Structure parameters

• Formula: C24 H49 Cl N2 O3 Os P2
• Calculated formula: C24 H49 Cl N2 O3 Os P2
• SMILES: [Os]12(Cl)([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)(OO1)=C1N(C)C=CN1CC2=O
• Title of publication: An Acyl-NHC Osmium Cooperative System: Coordination of Small Molecules and Heterolytic B‒H and O‒H Bond Activation
• Authors of publication: Bolaño, Tamara; Esteruelas, Miguel A.; Gay, M. Pilar; Oñate, Enrique; Pastor, Isidro M.; Yus, Miguel
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 15
• Pages of publication: 3902
• a: 16.723 ± 0.006 Å
• b: 16.459 ± 0.006 Å
• c: 21.16 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5824 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1372
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No