Information card for entry 7245405

Structure parameters

• Formula: C40 H37 N3 P2 Ru
• Calculated formula: C40 H37 N3 P2 Ru
• SMILES: [Ru]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(n1ncc(n1)c1ccc(cc1)C)[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: The straightforward synthesis of N-coordinated ruthenium 4-aryl-1,2,3-triazolato complexes by [3 + 2] cycloaddition reactions of a ruthenium azido complex with terminal phenylacetylenes and non-covalent aromatic interactions in structures
• Authors of publication: Chang, Chao-Wan; Lee, Chi-Rung; Lee, Gene-Hsiang; Lu, Kuang-Lieh
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 38
• Pages of publication: 24830 - 24838
• a: 11.5899 ± 0.0003 Å
• b: 11.8945 ± 0.0003 Å
• c: 12.2685 ± 0.0003 Å
• α: 87.7701 ± 0.0008°
• β: 77.0758 ± 0.0006°
• γ: 84.2939 ± 0.0007°
• Cell volume: 1640.03 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No