Information card for entry 7108777

Structure parameters

• Formula: C58 H55 Cl2 F6 N7 O6 Ru2 S2
• Calculated formula: C58 H55 Cl2 F6 N7 O6 Ru2 S2
• Title of publication: A dinuclear ruthenium catalyst with a confined cavity: selectivity in the addition of aliphatic carboxylic acids to phenylacetylene
• Authors of publication: Kwong-Chak Cheung; Wing-Leung Wong; Ming-Him So; Zhong-Yuan Zhou; Kwok-Yin Wong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 7
• Pages of publication: 710 - 712
• a: 16.2205 ± 0.0002 Å
• b: 14.5792 ± 0.0002 Å
• c: 25.008 ± 0.0003 Å
• α: 90°
• β: 95.481 ± 0.001°
• γ: 90°
• Cell volume: 5886.9 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• 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: 0.0884
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No