Information card for entry 4076884

Structure parameters

• Formula: C22 H31 Cl N2 O Ru
• Calculated formula: C22 H31 Cl N2 O Ru
• SMILES: [Ru]123456(Cl)([N](C(C)(C)C)=C(N1C(C)(C)C)c1ccccc1)[c]1([cH]2[cH]3[cH]4[cH]5[cH]61)OC
• Title of publication: Access to Novel Ruthenium−Amidinate Complexes, (η6-arene)Ru(η2-amidinate)X and [Ru(η2-amidinate)(MeCN)4]+PF6-by Photochemical Displacement of the Benzene Ligand in (η6-C6H6)Ru(η2-amidinate)X
• Authors of publication: Hayashida, Taizo; Nagashima, Hideo
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 19
• Pages of publication: 3884
• a: 10.1667 ± 0.0006 Å
• b: 17.8999 ± 0.0011 Å
• c: 11.9921 ± 0.0007 Å
• α: 90°
• β: 93.309 ± 0.002°
• γ: 90°
• Cell volume: 2178.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.761
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No