Information card for entry 1516539

Structure parameters

• Formula: C18 H24 N3 O6 P Ru
• Calculated formula: C18 H24 N3 O6 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)O)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: 14.595 ± 0.005 Å
• b: 9.371 ± 0.003 Å
• c: 15.859 ± 0.004 Å
• α: 90°
• β: 114.51 ± 0.016°
• γ: 90°
• Cell volume: 1973.6 ± 1.1 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• 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: 0.0868
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1986
• Weighted residual factors for all reflections included in the refinement: 0.2253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No