Information card for entry 7705293

Structure parameters

• Chemical name: RuAQNA
• Formula: C30 H27 Cl N2 O Ru
• Calculated formula: C30 H27 Cl N2 O Ru
• SMILES: [Ru]123456(Cl)(Oc7c(C=[N]1c1cnc8c(c1)cccc8)c1c(cc7)cccc1)[cH]1[c]3([cH]4[cH]6[c]5([cH]21)C(C)C)C
• Title of publication: Development of novel ruthenium(II)-arene complexes displaying potent anticancer effects in glioblastoma cells.
• Authors of publication: Kumar, Priyaranjan; Mondal, Indranil; Kulshreshtha, Ritu; Patra, Ashis K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 38
• Pages of publication: 13294 - 13310
• a: 20.1972 ± 0.0012 Å
• b: 17.0661 ± 0.0009 Å
• c: 7.6153 ± 0.0004 Å
• α: 90°
• β: 99.273 ± 0.002°
• γ: 90°
• Cell volume: 2590.6 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 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: 0.0932
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No