Information card for entry 4069536

Structure parameters

• Common name: 2a
• Formula: C34 H26 N4 O5 Ru
• Calculated formula: C34 H26 N4 O5 Ru
• SMILES: [Ru]12([n]3c4c(cccc4ccc3)O2)(Oc2cccc3c2[n]1ccc3)(C#[N]c1ccc(OC)cc1)C#[N]c1ccc(OC)cc1.O
• 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: 9.8044 ± 0.0004 Å
• b: 14.0508 ± 0.0006 Å
• c: 21.6146 ± 0.0009 Å
• α: 90°
• β: 92.018 ± 0.004°
• γ: 90°
• Cell volume: 2975.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No