Information card for entry 1100842

Structure parameters

• Formula: C45 H66 B Cl3 N2 O P2 Ru
• Calculated formula: C45 H66 B Cl3 N2 O P2 Ru
• Title of publication: Substituents Effects in POP Pincer Complexes of Ruthenium
• Authors of publication: Major, Quinn; Lough, Alan J.; Gusev, Dmitry G.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 10
• Pages of publication: 2492 - 2501
• a: 11.829 ± 0.0003 Å
• b: 13.4628 ± 0.0004 Å
• c: 15.2504 ± 0.0003 Å
• α: 79.474 ± 0.0015°
• β: 87.028 ± 0.0014°
• γ: 73.807 ± 0.0013°
• Cell volume: 2293.05 ± 0.1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1021
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No