Information card for entry 7700478

Structure parameters

• Formula: C48 H44 Cl2 F6 N5 P3 Ru
• Calculated formula: C48 H44 Cl2 F6 N5 P3 Ru
• Title of publication: Facile synthesis of 1,5-disubstituted tetrazoles by reacting a ruthenium acetylide complex with trimethylsilyl azide.
• Authors of publication: Chang, Chao-Wan; Cheng, Ming-Chuan; Lee, Gene-Hsiang; Peng, Shie-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 31
• Pages of publication: 11732 - 11742
• a: 10.5765 ± 0.0002 Å
• b: 20.0279 ± 0.0004 Å
• c: 22.2569 ± 0.0005 Å
• α: 90°
• β: 93.6313 ± 0.0007°
• γ: 90°
• Cell volume: 4705.1 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No