Information card for entry 7042958

Structure parameters

• Formula: C55 H46 Cl2 F15 N5 Ni O
• Calculated formula: C55 H46 Cl2 F15 N5 Ni O
• Title of publication: Deprotonated meso-hydroxyporphyrin as a stable π-electronic anion: the building unit of ion-pairing assembly
• Authors of publication: Sasano, Yoshifumi; Yasuda, Nobuhiro; Maeda, Hiromitsu
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 22.0408 ± 0.0014 Å
• b: 16.8646 ± 0.0012 Å
• c: 27.985 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10402.3 ± 1.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No