Information card for entry 4069538

Structure parameters

• Common name: 4b
• Formula: C32 H16 Br6 N4 O2 Ru
• Calculated formula: C32 H16 Br6 N4 O2 Ru
• SMILES: c12c3cccc2O[Ru]2([n]1ccc3)(C#[N]c1c(Br)cc(Br)cc1Br)(C#[N]c1c(Br)cc(Br)cc1Br)[n]1c3c(cccc3ccc1)O2
• Title of publication: Synthesis and Photophysical Properties of Ruthenium(II) Isocyanide Complexes Containing 8-Quinolinolate Ligands
• Authors of publication: Leung, Chi-Fai; Ng, Siu-Mui; Xiang, Jing; Wong, Wai-Yeung; Lam, Michael Hon-Wah; Ko, Chi-Chiu; Lau, Tai-Chu
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 19
• Pages of publication: 5709
• a: 23.0841 ± 0.001 Å
• b: 6.9214 ± 0.0003 Å
• c: 23.5613 ± 0.0012 Å
• α: 90°
• β: 112.317 ± 0.006°
• γ: 90°
• Cell volume: 3482.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1728
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No