Information card for entry 7131190

Structure parameters

• Chemical name: 1-S
• Formula: C58 H72 Cl4 Cr F6 N6 O4 P
• Calculated formula: C58 H72 Cl4 Cr F6 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: 12.2975 ± 0.0008 Å
• b: 19.7728 ± 0.0012 Å
• c: 12.9875 ± 0.0008 Å
• α: 90°
• β: 105.886 ± 0.002°
• γ: 90°
• Cell volume: 3037.4 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No