Information card for entry 1543758

Structure parameters

• Chemical name: 6
• Formula: C75 H77 Cl1.2 N5 Ni O1.3
• Calculated formula: C75.001 H77.409 Cl1.227 N5 Ni O1.296
• 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: 12.375 ± 0.007 Å
• b: 16.832 ± 0.01 Å
• c: 18.491 ± 0.01 Å
• α: 110.391 ± 0.008°
• β: 98.378 ± 0.015°
• γ: 106.725 ± 0.001°
• Cell volume: 3325 ± 3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.2257
• Weighted residual factors for all reflections included in the refinement: 0.2483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No