Information card for entry 7711613

Structure parameters

• Formula: C47 H50 Cl6 Cr F6 N14 P
• Calculated formula: C47 H50 Cl6 Cr F6 N14 P
• Title of publication: The energy gap law for NIR-phosphorescent Cr(III) complexes.
• Authors of publication: Cheng, Yang; Yang, Qingqing; He, Jiang; Zou, Wenjie; Liao, Keyu; Chang, Xiaoyong; Zou, Chao; Lu, Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2561 - 2565
• a: 16.2168 ± 0.0014 Å
• b: 17.7781 ± 0.0014 Å
• c: 19.4572 ± 0.0016 Å
• α: 73.632 ± 0.003°
• β: 88.899 ± 0.003°
• γ: 76.362 ± 0.002°
• Cell volume: 5223.8 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1309
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.198
• Weighted residual factors for all reflections included in the refinement: 0.2311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No