Information card for entry 1516541

Structure parameters

• Formula: C50 H68 N8 O14 P2 Ru2
• Calculated formula: C50 H68 N8 O14 P2 Ru2
• SMILES: [Ru]123456([P]78CN9CN(C8)CN(C7)C9)(OC(=O)C(=O)O1)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)CCC(=O)N[C@H](c1ccccc1)[C@@H](NC(=O)CC[c]12[cH]3[Ru]45671([P]18CN9CN(C1)CN(C8)C9)(OC(=O)C(=O)O4)[c]([cH]35)([cH]7[cH]26)C)c1ccccc1)C.O.O.O.O
• 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: 9.8881 ± 0.0008 Å
• b: 12.5811 ± 0.0009 Å
• c: 12.6829 ± 0.001 Å
• α: 72.028 ± 0.007°
• β: 67.58 ± 0.007°
• γ: 67.069 ± 0.007°
• Cell volume: 1319.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No