Information card for entry 7043236

Structure parameters

• Formula: C28 H34 Br2 N6 Ru
• Calculated formula: C28 H34 Br2 N6 Ru
• SMILES: [Ru]123456(Br)([n]7c8c([nH]c7C(n7[n]1c(cc7C)C)n1nc(cc1C)C)cccc8)[cH]1[c]6([cH]4[cH]3[c]2(C(C)C)[cH]51)C.[Br-]
• 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: 14.2731 ± 0.0004 Å
• b: 11.5926 ± 0.0003 Å
• c: 18.4878 ± 0.0005 Å
• α: 90°
• β: 111.225 ± 0.003°
• γ: 90°
• Cell volume: 2851.53 ± 0.15 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0305
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No