Information card for entry 7038259

Structure parameters

• Formula: C20 H23 Cl N2 Ru
• Calculated formula: C20 H23 Cl N2 Ru
• SMILES: [Ru]123456(Cl)(=C7N(C=CN7C)c7c1cccc7)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C
• Title of publication: Unusual dimer formation of cyclometalated ruthenium NHC p-cymene complexes.
• Authors of publication: Schleicher, David; Tronnier, Alexander; Leopold, Hendrik; Borrmann, Horst; Strassner, Thomas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3260 - 3263
• a: 10.982 ± 0.002 Å
• b: 12.179 ± 0.0014 Å
• c: 13.45 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1798.9 ± 0.6 ų
• Cell temperature: 198 K
• Ambient diffraction temperature: 198 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.264
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No