Information card for entry 4085583

Structure parameters

• Formula: C35 H63 B Cl2 F4 N2 Os P2
• Calculated formula: C35 H63 B Cl2 F4 N2 Os P2
• SMILES: [Os]123([H][H]2)([H][H]3)([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)=C2N(C)c3c(N2c2[c]1cccc2)cc(c(c3)C)C.ClCCl.[B](F)(F)(F)[F-]
• 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: 11.5135 ± 0.0005 Å
• b: 29.877 ± 0.0012 Å
• c: 12.121 ± 0.0005 Å
• α: 90°
• β: 108.301 ± 0.001°
• γ: 90°
• Cell volume: 3958.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0266
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No