Information card for entry 7038975

Structure parameters

• Formula: C22 H27 Cl F6 N3 P Ru
• Calculated formula: C22 H27 Cl F6 N3 P Ru
• SMILES: [Ru]123456(Cl)([n]7c(C=[N]1c1c(C)cccc1C)[nH]cc7)[c]1([cH]6[cH]2[c]3([cH]4[cH]51)C)C(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Alteration of steric hindrance modulates glutathione resistance and cytotoxicity of three structurally related Ru(II)-p-cymene complexes.
• Authors of publication: Purkait, Kallol; Chatterjee, Saptarshi; Karmakar, Subhendu; Mukherjee, Arindam
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8541 - 8555
• a: 8.7779 ± 0.0004 Å
• b: 12.0974 ± 0.0006 Å
• c: 12.3892 ± 0.0005 Å
• α: 113.365 ± 0.004°
• β: 93.289 ± 0.004°
• γ: 97.822 ± 0.004°
• Cell volume: 1187.48 ± 0.1 ų
• Cell temperature: 99.8 ± 0.4 K
• Ambient diffraction temperature: 99.8 ± 0.4 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No