Information card for entry 1543375

Structure parameters

• Formula: C30 H33 Cl7 N2 Ru
• Calculated formula: C30 H33 Cl7 N2 Ru
• SMILES: [Ru]123456(Cl)([n]7c8ccccc8ccc7C=[N]1c1cccc(Cl)c1)[c]1([c]4([c]3([c]2(C)[c]6([c]51C)C)C)C)C.[Cl-].ClCCl.ClCCl
• 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: 8.207 ± 0.0003 Å
• b: 12.9134 ± 0.0006 Å
• c: 15.5705 ± 0.0007 Å
• α: 95.336 ± 0.002°
• β: 104.273 ± 0.002°
• γ: 96.96 ± 0.002°
• Cell volume: 1574.44 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No