Information card for entry 4085585

Structure parameters

• Formula: C45 H40 N2 O2 Os P2
• Calculated formula: C45 H40 N2 O2 Os P2
• SMILES: [Os]123([P](C=C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([O]=C(C)C=C(O2)C)=C1N(C)c2c(N1c1c3cccc1)cccc2
• 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: 10.0601 ± 0.0004 Å
• b: 18.5522 ± 0.0008 Å
• c: 19.7318 ± 0.0009 Å
• α: 90°
• β: 90.411 ± 0.001°
• γ: 90°
• Cell volume: 3682.6 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No