Information card for entry 1516540

Structure parameters

• Formula: C21 H31 N4 O5 P Ru
• Calculated formula: C21 H31 N4 O5 P Ru
• SMILES: [Ru]123456([P]78CN9CN(C7)CN(C8)C9)(OC(=O)C(=O)O1)[c]1([cH]2[cH]3[c]4([cH]5[CH]61)CCC(=O)NCCC)C
• Title of publication: Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics
• Authors of publication: Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J.
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 2536
• a: 11.58624 ± 0.00012 Å
• b: 15.39855 ± 0.00014 Å
• c: 13.23391 ± 0.00014 Å
• α: 90°
• β: 98.3744 ± 0.001°
• γ: 90°
• Cell volume: 2335.9 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No