Information card for entry 4319361

Structure parameters

• Formula: C45 H37 Cl N4 O4 P2 Ru
• Calculated formula: C45 H37 Cl N4 O4 P2 Ru
• SMILES: [Ru]1(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([N](N=C(N)O1)=Cc1ccc(N(=O)=O)cc1)C#[O]
• Title of publication: Chemical Control on the Coordination Mode of Benzaldehyde Semicarbazone Ligands. Synthesis, Structure, and Redox Properties of Ruthenium Complexes
• Authors of publication: Falguni Basuli; Shie-Ming Peng; Samaresh Bhattacharya
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1126 - 1133
• a: 10.212 ± 0.002 Å
• b: 13.011 ± 0.002 Å
• c: 17.218 ± 0.003 Å
• α: 111.17 ± 0.02°
• β: 91.12 ± 0.02°
• γ: 106.337 ± 0.013°
• Cell volume: 2028.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for all reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.0794
• Goodness-of-fit parameter for all reflections: 1.032
• Goodness-of-fit parameter for significantly intense reflections: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No