Information card for entry 7119000

Structure parameters

• Formula: C37 H33 N5 Ni
• Calculated formula: C37 H33 N5 Ni
• Title of publication: Ni^II^ tetrahydronorcorroles: antiaromatic porphyrinoids with saturated pyrrole units
• Authors of publication: Ryo Nozawa; Keitaro Yamamoto; Ichiro Hisaki; Ji-Young Shin; Hiroshi Shinokubo
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7106
• a: 7.0843 ± 0.0001 Å
• b: 25.1223 ± 0.0002 Å
• c: 8.2327 ± 0.0001 Å
• α: 90°
• β: 103.844 ± 0.0004°
• γ: 90°
• Cell volume: 1422.65 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No