Information card for entry 4332877

Structure parameters

• Formula: C18 H26 N3 O4 P Ru
• Calculated formula: C18 H26 N3 O4 P Ru
• SMILES: [Ru]123456([P]78CN9CN(C8)CN(C7)C9)(OC(=O)C(=O)O1)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C)C(C)C
• Title of publication: Development of Organometallic Ruthenium−Arene Anticancer Drugs That Resist Hydrolysis
• Authors of publication: Ang, Wee Han; Daldini, Elisa; Scolaro, Claudine; Scopelliti, Rosario; Juillerat-Jeannerat, Lucienne; Dyson, Paul J.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 9006 - 9013
• a: 11.2523 ± 0.0005 Å
• b: 11.2529 ± 0.0005 Å
• c: 15.8614 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2008.39 ± 0.16 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0217
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections included in the refinement: 0.0427
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No