Information card for entry 4323855

Structure parameters

• Common name: [(C5Me5)Ru(NO)(bipy)][OTf]2
• Chemical name: [(C5Me5)Ru(NO)(bipy)][OTf]2
• Formula: C22 H23 F6 N3 O7 Ru S2
• Calculated formula: C22 H23 F6 N3 O7 Ru S2
• SMILES: [Ru]12345(N=O)([n]6c(cccc6)c6[n]1cccc6)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.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: 11.553 ± 0.004 Å
• b: 16.517 ± 0.005 Å
• c: 14.719 ± 0.004 Å
• α: 90°
• β: 94.01 ± 0.02°
• γ: 90°
• Cell volume: 2801.8 ± 1.5 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: 0.1684
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections: 0.1452
• Weighted residual factors for significantly intense reflections: 0.1094
• Goodness-of-fit parameter for all reflections: 1.043
• Goodness-of-fit parameter for significantly intense reflections: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No