Information card for entry 4033413

Structure parameters

• Formula: C100 H70 Cl12 Cu6 N12 S6
• Calculated formula: C100 H70 Cl12 Cu6 N12 S6
• Title of publication: Switchable Chemoselective Transfer Hydrogenations of Unsaturated Carbonyls Using Copper(I) N-Donor Thiolate Clusters.
• Authors of publication: Zhang, Meng-Juan; Tan, Da-Wei; Li, Hong-Xi; Young, David James; Wang, Hui-Fang; Li, Hai-Yan; Lang, Jian-Ping
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 3
• Pages of publication: 1204 - 1215
• a: 12.8655 ± 0.0012 Å
• b: 14.159 ± 0.0013 Å
• c: 16.1031 ± 0.0015 Å
• α: 115.333 ± 0.002°
• β: 104.641 ± 0.002°
• γ: 96.319 ± 0.002°
• Cell volume: 2484.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No