Information card for entry 4085586

Structure parameters

• Formula: C48 H46 Cl2 N2 O2 Os P2
• Calculated formula: C48 H46 Cl2 N2 O2 Os P2
• SMILES: [Os]123([P](C=C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(OC(=CC(=[O]2)C)C)=C1N(c2c(N1C)cc(c(c2)C)C)c1c3cccc1.ClCCl
• Title of publication: Osmium(II)‒Bis(dihydrogen) Complexes ContainingCaryl,CNHC‒Chelate Ligands: Preparation, Bonding Situation, and Acidity
• Authors of publication: Bolaño, Tamara; Esteruelas, Miguel A.; Fernández, Israel; Oñate, Enrique; Palacios, Adrián; Tsai, Jui-Yi; Xia, Chuanjun
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 4
• Pages of publication: 778
• a: 10.6224 ± 0.0004 Å
• b: 11.0347 ± 0.0004 Å
• c: 19.3266 ± 0.0008 Å
• α: 90.15 ± 0.001°
• β: 101.198 ± 0.001°
• γ: 102.744 ± 0.001°
• Cell volume: 2165.05 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No