Information card for entry 4073804

Structure parameters

• Formula: C31 H52 Cl N Os P2
• Calculated formula: C31 H52 Cl N Os P2
• SMILES: [OsH2]1([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)(Cl)[n]2cccc3c2c2c1cccc2cc3
• 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: 10.2474 ± 0.0007 Å
• b: 10.5561 ± 0.0007 Å
• c: 15.5706 ± 0.0011 Å
• α: 93.026 ± 0.001°
• β: 101.436 ± 0.001°
• γ: 107.925 ± 0.001°
• Cell volume: 1559 ± 0.19 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: 0.0577
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No