Information card for entry 7043379

Structure parameters

• Formula: C69.5 H21.5 F20 N12 Ni2
• Calculated formula: C69.5 H21.5 F20 N12 Ni2
• Title of publication: A Synthesis of Novel Expanded Porphyrinoids: NiII-Induced Nitrile Cyclization of Dicyanovinylene-Bis(meso-Aryl)Dipyrrin
• Authors of publication: Faialaga, Nathan Hikaru; Ito, Satoru; Shinokubo, Hiroshi; Kim, Yonghun; Kim, Kimoon; Shin, Ji-Young
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 16.065 ± 0.003 Å
• b: 20.758 ± 0.004 Å
• c: 21.059 ± 0.004 Å
• α: 103.63 ± 0.03°
• β: 94.83 ± 0.03°
• γ: 108.69 ± 0.03°
• Cell volume: 6367 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Ambient diffracton pressure: 101 kPa
• 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: 0.0939
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.222
• Weighted residual factors for all reflections included in the refinement: 0.2412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No