Information card for entry 7038257

Structure parameters

• Formula: C21 H25 Cl N2 O Ru
• Calculated formula: C21 H25 Cl N2 O Ru
• SMILES: [Ru]123456(Cl)(=C7N(C=CN7C)c7c1cc(OC)cc7)[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: 17.26 ± 0.003 Å
• b: 7.853 ± 0.0009 Å
• c: 14.921 ± 0.003 Å
• α: 90°
• β: 106.611 ± 0.014°
• γ: 90°
• Cell volume: 1938 ± 0.6 ų
• Cell temperature: 198 K
• Ambient diffraction temperature: 198 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No