Information card for entry 7048675

Structure parameters

• Formula: C39 H38 Cl2 F3 N3 O4 P2 Ru
• Calculated formula: C39 H38 Cl2 F3 N3 O4 P2 Ru
• Title of publication: Facile synthesis of 1,5-disubstituted 1,2,3-triazoles by the regiospecific alkylation of a ruthenium triazolato complex.
• Authors of publication: Chang, Chao-Wan; Lee, Gene-Hsiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 2028 - 2037
• a: 13.4954 ± 0.0009 Å
• b: 28.3436 ± 0.0019 Å
• c: 10.7073 ± 0.0007 Å
• α: 90°
• β: 102.186 ± 0.0009°
• γ: 90°
• Cell volume: 4003.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0542
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No