Information card for entry 7113056

Structure parameters

• Formula: C28 H29 Cl N6 O2 Ru
• Calculated formula: C28 H29 Cl N6 O2 Ru
• SMILES: [Ru]12(Cl)(Oc3cccc4c3[n]1c(cc4)C)(Oc1cccc3c1[n]2c(cc3)C)[NH]=C(C#N)C#N.[NH2+]1CCCCC1
• Title of publication: Addition of [CH(CN)2]- and [TCNE]˙- to Ru(VI)≡N bearing 8-quinolinolato ligands.
• Authors of publication: Leung, Chi-Fai; Yiu, Shek-Man; Xiang, Jing; Lau, Tai-Chu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 40
• Pages of publication: 7575 - 7577
• a: 9.1223 ± 0.0005 Å
• b: 10.4936 ± 0.0006 Å
• c: 14.8426 ± 0.0009 Å
• α: 79.785 ± 0.005°
• β: 86.546 ± 0.005°
• γ: 72.825 ± 0.005°
• Cell volume: 1335.9 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No