Information card for entry 7042956

Structure parameters

• Formula: C38.5 H10 Cl F15 N4 Ni
• Calculated formula: C38.5 H10 Cl F15 N4 Ni
• 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: 31.45 ± 0.0012 Å
• b: 7.5523 ± 0.0003 Å
• c: 29.4499 ± 0.001 Å
• α: 90°
• β: 111.954 ± 0.003°
• γ: 90°
• Cell volume: 6487.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.78201 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No