Information card for entry 7713093

Structure parameters

• Formula: C39 H35.5 B Cu F4 N5.5 P
• Calculated formula: C39 H31 B Cu F4 N5.5 P
• Title of publication: Heteroleptic copper(I) complexes [Cu(dmp)(N^P)]BF4 for photoinduced atom-transfer radical addition reactions
• Authors of publication: Zhao, You-Hui; Li, Hai-Yan; Young, David James; Cao, Xiangqian; Zhu, Da-Liang; Ren, Zhi-Gang; Li, Hong-Xi
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.8101 ± 0.0014 Å
• b: 12.1918 ± 0.0017 Å
• c: 16.312 ± 0.002 Å
• α: 98.412 ± 0.004°
• β: 108.062 ± 0.004°
• γ: 100.7 ± 0.004°
• Cell volume: 1960 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1176
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.194
• Weighted residual factors for all reflections included in the refinement: 0.2231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No