Information card for entry 7113028

Structure parameters

• Formula: C13 H9 Cl N2 O2 Ru
• Calculated formula: C13 H9 Cl N2 O2 Ru
• SMILES: [Ru]12(Cl)(Oc3ccccc3[N]2=Cc2ccccc2O1)#N
• 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: 7.7794 ± 0.0007 Å
• b: 12.5674 ± 0.0011 Å
• c: 13.3405 ± 0.0012 Å
• α: 90°
• β: 106.133 ± 0.002°
• γ: 90°
• Cell volume: 1252.9 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0393
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No