Information card for entry 4129876

Structure parameters

• Formula: C62.2 H71.4 Cl6.4 N4 Ni O Sb
• Calculated formula: C62.2 H71.4 Cl6.4 N4 Ni O Sb
• Title of publication: Triarylporphyrin meso-Oxy Radicals: Remarkable Chemical Stabilities and Oxidation to Oxophlorin π-Cations.
• Authors of publication: Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Kim, Dongho; Osuka, Atsuhiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 49
• Pages of publication: 15584 - 15594
• a: 10.13 ± 0.002 Å
• b: 16.127 ± 0.004 Å
• c: 20.15 ± 0.008 Å
• α: 92.98 ± 0.04°
• β: 97.03 ± 0.06°
• γ: 105.76 ± 0.03°
• Cell volume: 3131.7 ± 1.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 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: 0.1035
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No