Information card for entry 7705548

Structure parameters

• Formula: C38 H39 Cl F6 N5 P3 Ru
• Calculated formula: C38 H39 Cl F6 N5 P3 Ru
• Title of publication: Cytotoxic (<i>cis</i>,<i>cis</i>-1,3,5-triaminocyclohexane)ruthenium(II)-diphosphine complexes; evidence for covalent binding <i>and</i> intercalation with DNA.
• Authors of publication: Wise, Dan E.; Gamble, Aimee J.; Arkawazi, Sham W.; Walton, Paul H.; Galan, M. Carmen; O'Hagan, Michael P; Hogg, Karen G.; Marrison, Joanne L.; O'Toole, Peter J; Sparkes, Hazel A.; Lynam, Jason M.; Pringle, Paul G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 43
• Pages of publication: 15219 - 15230
• a: 13.9014 ± 0.0006 Å
• b: 19.6282 ± 0.0009 Å
• c: 14.2188 ± 0.0006 Å
• α: 90°
• β: 98.387 ± 0.001°
• γ: 90°
• Cell volume: 3838.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0534
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No