Information card for entry 1543374

Structure parameters

• Formula: C31 H40 Cl2 N2 O3 Ru
• Calculated formula: C31 H40 Cl2 N2 O3 Ru
• SMILES: [Ru]123456(Cl)([n]7c8ccccc8ccc7C=[N]1c1ccc(OC)cc1)[c]1([c]2([c]3([c]4([c]5([c]61C)C)C)C)C)C.[Cl-].OC.OC
• Title of publication: Structural Determinants of p53-Independence in Anticancer Ruthenium-Arene Schiff-Base Complexes.
• Authors of publication: Chow, Mun Juinn; Babak, Maria V.; Wong, Daniel Yuan Qiang; Pastorin, Giorgia; Gaiddon, Christian; Ang, Wee Han
• Journal of publication: Molecular pharmaceutics
• Year of publication: 2016
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 2543 - 2554
• a: 17.548 ± 0.002 Å
• b: 8.8135 ± 0.0012 Å
• c: 20.148 ± 0.003 Å
• α: 90°
• β: 106.579 ± 0.004°
• γ: 90°
• Cell volume: 2986.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.18
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No