Information card for entry 4087624

Structure parameters

• Formula: C37 H50 O2 Os P2
• Calculated formula: C37 H50 O2 Os P2
• SMILES: [OsH]123([P](c4cccc5c4[O]2c2c(C5(C)C)cccc2[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)OC(=CC=3c1ccccc1)C
• Title of publication: C‒H Bond Activation Reactions in Ketones and Aldehydes Promoted by POP-Pincer Osmium and Ruthenium Complexes
• Authors of publication: Alós, Joaquín; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Puylaert, Pim
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 4908
• a: 11.7401 ± 0.0014 Å
• b: 12.0479 ± 0.0014 Å
• c: 27.56 ± 0.003 Å
• α: 78.724 ± 0.002°
• β: 83.87 ± 0.002°
• γ: 60.979 ± 0.001°
• Cell volume: 3342.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No