Information card for entry 7113029

Structure parameters

• Formula: C65 H48 N5 O2 P2 Ru
• Calculated formula: C65 H48 N5 O2 P2 Ru
• SMILES: [Ru]12(Oc3ccccc3C(=[N]2c2ccccc2O1)C#N)(C#N)(C#N)C#N.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: A novel tricyanoruthenium(III) building block for the construction of bimetallic coordination polymers.
• Authors of publication: Xiang, Jing; Man, Wai-Lun; Guo, Junfang; Yiu, Shek-Man; Lee, Gene-Hsiang; Peng, Shie-Ming; Xu, Guancheng; Gao, Song; Lau, Tai-Chu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 33
• Pages of publication: 6102 - 6104
• a: 12.1715 ± 0.0001 Å
• b: 27.0344 ± 0.0003 Å
• c: 17.9058 ± 0.0002 Å
• α: 90°
• β: 97.273 ± 0.001°
• γ: 90°
• Cell volume: 5844.48 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.039
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No