Information card for entry 7012858

Structure parameters

• Formula: C33.4 H29.2 F6 N9 O1.2 P Ru
• Calculated formula: C33.4 H29.2 F6 N9 O1.2 P1.5 Ru
• Title of publication: Structural and photophysical characterisation of coordination and optical isomers of mononuclear ruthenium(ii) polypyridyl 1,2,4-triazole complexesElectronic supplementary information (ESI) available: analytical and semipreparative HPLC chromatograms, CD and UV/vis spectra. See http://www.rsc.org/suppdata/dt/b3/b301961f/
• Authors of publication: Browne, Wesley R.; Hesek, Dusan; Gallagher, John F.; O'Connor, Christine M.; Killeen, J. Scott; Aoki, Fumiko; Ishida, Hitoshi; Inoue, Yoshihisa; Villani, Claudio; Vos, Johannes G.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 2597
• a: 12.2324 ± 0.0017 Å
• b: 12.301 ± 0.002 Å
• c: 13.296 ± 0.002 Å
• α: 78.996 ± 0.012°
• β: 64.996 ± 0.01°
• γ: 77.151 ± 0.01°
• Cell volume: 1757.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1059
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No