Information card for entry 4333127

Structure parameters

• Formula: C21 H23 Cl F6 N3 P Ru
• Calculated formula: C21 H23 Cl F6 N3 P Ru
• SMILES: [Ru]123456(Cl)([c]7([cH]1[cH]3[c]5([cH]4[cH]27)C(C)C)C)[n]1ccccc1N=[N]6c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Phenylazo-pyridine and Phenylazo-pyrazole Chlorido Ruthenium(II) Arene Complexes: Arene Loss, Aquation, and Cancer Cell Cytotoxicity
• Authors of publication: Dougan, Sarah J.; Melchart, Michael; Habtemariam, Abraha; Parsons, Simon; Sadler, Peter J.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10882 - 10894
• a: 9.1789 ± 0.001 Å
• b: 9.7628 ± 0.0011 Å
• c: 13.0987 ± 0.0014 Å
• α: 84.688 ± 0.001°
• β: 72.951 ± 0.002°
• γ: 89.795 ± 0.001°
• Cell volume: 1117.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0369
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No