Information card for entry 7043235

Structure parameters

• Formula: C18 H20 N6
• Calculated formula: C18 H20 N6
• SMILES: n1(nc(cc1C)C)C(n1nc(cc1C)C)c1nc2c([nH]1)cccc2
• 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: 19.4406 ± 0.0007 Å
• b: 10.4285 ± 0.0003 Å
• c: 16.962 ± 0.0007 Å
• α: 90°
• β: 109.057 ± 0.004°
• γ: 90°
• Cell volume: 3250.3 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No