Information card for entry 7012009

Structure parameters

• Formula: C32 H26 F6 N10 O P Ru
• Calculated formula: C32 H26 F6 N10 O P Ru
• SMILES: [Ru]123([n]4ccccc4c4n1nc(n4)c1nccnc1)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].OC
• Title of publication: Ruthenium(ii) and osmium(ii) polypyridyl complexes of an asymmetric pyrazinyl- and pyridinyl-containing 1,2,4-triazole based ligand. Connectivity and physical properties of mononuclear complexesElectronic supplementary information (ESI) available: 1H NMR spectra of 1a and 1b. See http://www.rsc.org/suppdata/dt/b2/b206667j/
• Authors of publication: Browne, Wesley R.; O'Connor, Christine M.; Hughes, Helen P.; Hage, Ronald; Walter, Olaf; Doering, Manfred; Gallagher, John F.; Vos, Johannes G.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 21
• Pages of publication: 4048
• a: 9.9097 ± 0.0007 Å
• b: 12.5731 ± 0.0009 Å
• c: 14.1156 ± 0.001 Å
• α: 93.857 ± 0.001°
• β: 93.41 ± 0.001°
• γ: 111.439 ± 0.001°
• Cell volume: 1626.6 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0342
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No