Information card for entry 7711614

Structure parameters

• Formula: C41.13 H37.51 Cr F6 N10 O1.63 P
• Calculated formula: C40.5 H35 Cr F6 N10 O 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: 19.9874 ± 0.0013 Å
• b: 18.8599 ± 0.0012 Å
• c: 21.5414 ± 0.0014 Å
• α: 90°
• β: 102.64 ± 0.002°
• γ: 90°
• Cell volume: 7923.5 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1077
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No