Information card for entry 4073803

Structure parameters

• Formula: C31 H53 Cl2 N Os P2
• Calculated formula: C31 H53 Cl2 N Os P2
• SMILES: [Os]1([H][H]1)(Cl)(Cl)([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)c1[nH+]c2c(cc1)ccc1c2cccc1
• Title of publication: Osmium and Ruthenium Complexes Containing an N-Heterocyclic Carbene Ligand Derived from Benzo[h]quinoline
• Authors of publication: Esteruelas, Miguel A.; Fernández-Alvarez, Francisco J.; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 21
• Pages of publication: 5239
• a: 8.827 ± 0.0016 Å
• b: 31.354 ± 0.006 Å
• c: 23.659 ± 0.004 Å
• α: 90°
• β: 95.603 ± 0.004°
• γ: 90°
• Cell volume: 6517 ± 2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1085
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No