Information card for entry 4066293

Structure parameters

• Formula: C32 H36 Cl N2 P Ru
• Calculated formula: C32 H36 Cl N2 P Ru
• SMILES: [Ru]12345(Cl)([P](CN6C=1Nc1c6cc(c(c1)C)C)(c1ccccc1)c1ccccc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Synthesis, Characterization, and H-Bonding Abilities of Ruthenium(II) Complexes Bearing Bidentate NR,NH-Carbene/Phosphine Ligands†
• Authors of publication: Hahn, F. Ekkehardt; Naziruddin, Abbas Raja; Hepp, Alexander; Pape, Tania
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5283
• a: 14.4177 ± 0.0011 Å
• b: 11.8422 ± 0.0009 Å
• c: 16.645 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2841.9 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 0.811
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No