Information card for entry 1543761

Structure parameters

• Chemical name: 9
• Formula: C165 H150 Cl19 N10 Ni2 O5
• Calculated formula: C165 H150 Cl19 N10 Ni2 O5
• Title of publication: Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.
• Authors of publication: Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro
• Journal of publication: Chemical science
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 189 - 199
• a: 72.72 ± 0.009 Å
• b: 13.4081 ± 0.0016 Å
• c: 33.152 ± 0.004 Å
• α: 90°
• β: 102.869 ± 0.004°
• γ: 90°
• Cell volume: 31512 ± 7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• 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: 0.1197
• Residual factor for significantly intense reflections: 0.0996
• Weighted residual factors for significantly intense reflections: 0.264
• Weighted residual factors for all reflections included in the refinement: 0.28
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No