Information card for entry 7043234

Structure parameters

• Formula: C28 H34 Cl2 N6 Ru
• Calculated formula: C28 H34 Cl2 N6 Ru
• SMILES: [Ru]123456(Cl)([n]7n(C(n8nc(cc8C)C)c8[n]1c1ccccc1[nH]8)c(cc7C)C)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C.[Cl-]
• Title of publication: Ruthenium(II) p-Cymene Complexes of a Benzimidazole based Ligand Capable of VEGFR2 Inhibition: Hydrolysis, Reactivity and Cytotoxicity Studies
• Authors of publication: Bhattacharyya, Sudipta; Purkait, Kallol; Mukherjee, Arindam
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 14.396 ± 0.003 Å
• b: 11.675 ± 0.003 Å
• c: 18.23 ± 0.004 Å
• α: 90°
• β: 112.062 ± 0.005°
• γ: 90°
• Cell volume: 2839.6 ± 1.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.0692
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No