Information card for entry 7048676

Structure parameters

• Formula: C80 H78 F12 N6 O4 P6 Ru2
• Calculated formula: C80 H78 F12 N6 O4 P6 Ru2
• 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: 12.1244 ± 0.0004 Å
• b: 12.4294 ± 0.0005 Å
• c: 15.4419 ± 0.0006 Å
• α: 86.9979 ± 0.0011°
• β: 77.3854 ± 0.0012°
• γ: 86.1615 ± 0.0012°
• Cell volume: 2264.11 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.084
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No