Information card for entry 4515792

Structure parameters

• Common name: shs302m
• Formula: C60 H42 Br2 Cu F12 N6 O8 Sb2
• Calculated formula: C60 H42 Br2 Cu F12 N6 O8 Sb2
• Title of publication: Spectroscopic Characterization and Mechanistic Studies on Visible Light Photoredox Carbon‒Carbon Bond Formation by Bis(arylimino)acenaphthene Copper Photosensitizers
• Authors of publication: Ng, Yik Yie; Tan, Lisa Jiaying; Ng, Shue Mei; Chai, Yoke Tin; Ganguly, Rakesh; Du, Yonghua; Yeow, Edwin Kok Lee; Soo, Han Sen
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 11277
• a: 11.7665 ± 0.0011 Å
• b: 26.084 ± 0.003 Å
• c: 21.832 ± 0.0018 Å
• α: 90°
• β: 92.097 ± 0.003°
• γ: 90°
• Cell volume: 6696.1 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.2371
• Residual factor for significantly intense reflections: 0.1755
• Weighted residual factors for significantly intense reflections: 0.4966
• Weighted residual factors for all reflections included in the refinement: 0.5348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No