Information card for entry 4073805

Structure parameters

• Formula: C31 H52 Cl N P2 Ru
• Calculated formula: C31 H52 Cl N P2 Ru
• SMILES: [RuH2]1(Cl)([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)[n]2cccc3c2c2c(cc3)cccc12
• 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: 10.288 ± 0.003 Å
• b: 10.544 ± 0.003 Å
• c: 15.572 ± 0.004 Å
• α: 93.132 ± 0.005°
• β: 100.966 ± 0.005°
• γ: 107.901 ± 0.005°
• Cell volume: 1566.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No