Information card for entry 4069537

Structure parameters

• Common name: 3a
• Formula: C33 H22 Cl4 N4 O2 Ru
• Calculated formula: C33 H22 Cl4 N4 O2 Ru
• SMILES: [Ru]12(Oc3c4[n]1cccc4ccc3)(Oc1c3[n]2cccc3ccc1)(C#[N]c1ccc(cc1)Cl)C#[N]c1ccc(cc1)Cl.ClCCl
• 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: 8.3101 ± 0.0004 Å
• b: 13.0622 ± 0.0007 Å
• c: 15.2027 ± 0.0005 Å
• α: 78.156 ± 0.004°
• β: 83.454 ± 0.003°
• γ: 78.703 ± 0.004°
• Cell volume: 1579.11 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0681
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1732
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No