Information card for entry 7019374

Structure parameters

• Formula: C36 H37 Cl2 N7 O7 Ru
• Calculated formula: C36 H37 Cl2 N7 O7 Ru
• SMILES: [Ru]123(Cl)([n]4ccccc4c4cc(cc([n]14)c1cccc[n]21)c1nc2ccccc2[nH]1)[n]1ccccc1c1cccc[n]31.Cl(=O)(=O)(=O)[O-].O(CC)CC.O.O
• Title of publication: Ruthenium(ii) [3 + 2 + 1] mixed ligand complexes: substituent effect on photolability, photooxidation of bases, photocytotoxicity and photonuclease activity.
• Authors of publication: Sathyaraj, Gopal; Kiruthika, Mathiyalagan; Weyhermüller, Thomas; Nair, Balachandran Unni
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 27
• Pages of publication: 8460 - 8471
• a: 8.6412 ± 0.0009 Å
• b: 19.2016 ± 0.0017 Å
• c: 21.961 ± 0.002 Å
• α: 90°
• β: 91.718 ± 0.012°
• γ: 90°
• Cell volume: 3642.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0446
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No