Information card for entry 7012859

Structure parameters

• Formula: C26 H21.24 F9 N9 O0.37 P1.5 Ru
• Calculated formula: C26 H21.248 F9 N9 O0.374 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: 17.4944 ± 0.0015 Å
• b: 17.5143 ± 0.0016 Å
• c: 19.5605 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5993.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 41
• Hermann-Mauguin space group symbol: B 2 c b
• Hall space group symbol: B -2ab 2
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No