Information card for entry 8106370

Structure parameters

• Formula: C98 H84 Cl6 N8 O8
• Calculated formula: C98 H84 Cl6 N8 O8
• Title of publication: Crystal structure of 2,3,9,10,16,17,23,24-octakis(2,6-dimethylphenoxy)phthalocyanine - trichloromethane (1/2), C98H84Cl6N8O8
• Authors of publication: Xin, Wang; Qingyun, Liu; Liguo, Yang; Nana, Liu; Yongsheng, Niu; Aimin, Wei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 6
• Pages of publication: 981 - 983
• a: 8.3431 ± 0.0003 Å
• b: 16.1109 ± 0.0006 Å
• c: 18.1405 ± 0.0007 Å
• α: 109.242 ± 0.004°
• β: 95.119 ± 0.003°
• γ: 103.798 ± 0.003°
• Cell volume: 2197.93 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No