Information card for entry 7131192

Structure parameters

• Formula: C53 H62 Cl2 Cr F6 N6 O4 P
• Calculated formula: C53 H62 Cl2 Cr F6.002 N6 O4 P
• Title of publication: Circularly polarized near-infrared phosphorescence of chiral chromium(III) complexes.
• Authors of publication: Cheng, Yang; He, Jiang; Zou, Wenjie; Chang, Xiaoyong; Yang, Qingqing; Lu, Wei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 13
• Pages of publication: 1781 - 1784
• a: 27.3793 ± 0.0015 Å
• b: 19.1458 ± 0.001 Å
• c: 21.6094 ± 0.0011 Å
• α: 90°
• β: 114.666 ± 0.003°
• γ: 90°
• Cell volume: 10294 ± 1 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0581
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No