Information card for entry 7112345

Structure parameters

• Formula: C26 H30 Cl2 N3 O1.5 Ru
• Calculated formula: C26 H30 Cl2 N3 O1.5 Ru
• SMILES: [Ru]123456(Cl)([n]7c(N(c8[n]1cccc8)c1ccccc1)cccc7)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C.Cl.O.O
• Title of publication: A dinuclear ruthenium catalyst with a confined cavity: selectivity in the addition of aliphatic carboxylic acids to phenylacetylene.
• Authors of publication: Cheung, Kwong-Chak; Wong, Wing-Leung; So, Ming-Him; Zhou, Zhong-Yuan; Yan, Siu-Cheong; Wong, Kwok-Yin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 7
• Pages of publication: 710 - 712
• a: 17.8467 ± 0.0003 Å
• b: 19.9586 ± 0.0004 Å
• c: 14.4679 ± 0.0003 Å
• α: 90°
• β: 93.888 ± 0.001°
• γ: 90°
• Cell volume: 5141.54 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7108778
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No