Information card for entry 4075095

Structure parameters

• Formula: C20 H33 N2 P Ru
• Calculated formula: C20 H33 N2 P Ru
• SMILES: [Ru]12345678(P9[C]3(=[N]1[N]2=[C]49C(C)(C)C)C(C)(C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C
• Title of publication: Synthesis and Characterization of η5-1,2,4-Diazaphospholide Complexes of Ruthenium†
• Authors of publication: Zheng, Wenjun; Zhang, Guozhen; Fan, Kangnian
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 7
• Pages of publication: 1548
• a: 19.2582 ± 0.0014 Å
• b: 8.7467 ± 0.0007 Å
• c: 26.2846 ± 0.0019 Å
• α: 90°
• β: 100.592 ± 0.001°
• γ: 90°
• Cell volume: 4352.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No