Information card for entry 4323856

Structure parameters

• Common name: [(C5Me5)Ru(NO)(dppz)][OTf]2
• Chemical name: [(C5Me5)Ru(NO)(dppz)][OTf]2
• Formula: C30 H25 F6 N5 O7 Ru S2
• Calculated formula: C30 H25 F6 N5 O7 Ru S2
• SMILES: [Ru]12345([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)(N=O)[n]1cccc2c3nc4ccccc4nc3c3ccc[n]5c3c12.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Synthesis and Structure of the Ruthenium(II) Complexes [(η-C5Me5)Ru(NO)(bipy)]2+ and [(η-C5Me5)Ru(NO)(dppz)]2+. DNA Cleavage by an Organometallic dppz Complex (bipy = 2,2'-Bipyridine; dppz = Dipyrido[3,2-a:2',3'-c]phenazine)
• Authors of publication: Thomas K. Schoch; John L. Hubbard; Christopher R. Zoch; Geun-Bae Yi; Morten Sørlie
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 4383 - 4390
• a: 8.911 ± 0.002 Å
• b: 30.516 ± 0.005 Å
• c: 24.622 ± 0.004 Å
• α: 90°
• β: 99.02 ± 0.01°
• γ: 90°
• Cell volume: 6613 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1438
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections: 0.2227
• Weighted residual factors for significantly intense reflections: 0.1787
• Goodness-of-fit parameter for all reflections: 1.039
• Goodness-of-fit parameter for significantly intense reflections: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No