Information card for entry 7004779

Structure parameters

• Formula: C48 H38 Cl4 N2 O P2 Ru
• Calculated formula: C48 H36 Cl4 N2 O P2 Ru
• Title of publication: Aerobic oxidation of C(sp3)‒H bonds of 4,5-diazafluorene promoted by coordination
• Authors of publication: Jiang, Huiling; Stepowska, Elzbieta; Song, Datong
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 43
• Pages of publication: 5879 - 5881
• a: 14.1185 ± 0.0005 Å
• b: 10.485 ± 0.0004 Å
• c: 29.4109 ± 0.001 Å
• α: 90°
• β: 103.404 ± 0.002°
• γ: 90°
• Cell volume: 4235.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1091
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.2085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No