Information card for entry 1553684

Structure parameters

• Formula: C22 H24 N3 Ni0.5
• Calculated formula: C22 H24 N3 Ni0.5
• Title of publication: Direct amination of the antiaromatic NiII norcorrole
• Authors of publication: Yoshida, Takuya; Shinokubo, Hiroshi
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 1
• Journal issue: 9
• Pages of publication: 1853
• a: 8.3884 ± 0.0008 Å
• b: 8.4668 ± 0.0005 Å
• c: 14.2802 ± 0.0012 Å
• α: 95.006 ± 0.006°
• β: 94.479 ± 0.007°
• γ: 113.925 ± 0.007°
• Cell volume: 916.34 ± 0.14 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No