Information card for entry 7042957

Structure parameters

• Formula: C44 H21.5 F15 N4 Ni O3
• Calculated formula: C44 H21.5 F15 N4 Ni O3
• 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: 7.309 ± 0.003 Å
• b: 14.459 ± 0.006 Å
• c: 20.126 ± 0.008 Å
• α: 72.365 ± 0.005°
• β: 80.781 ± 0.006°
• γ: 78.319 ± 0.006°
• Cell volume: 1973.8 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.2688
• Residual factor for significantly intense reflections: 0.1424
• Weighted residual factors for significantly intense reflections: 0.3412
• Weighted residual factors for all reflections included in the refinement: 0.4202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.7006 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No