Information card for entry 7121275

Structure parameters

• Formula: C45 H35 Cl N6 Ni O
• Calculated formula: C45 H35 Cl N6 Ni O
• Title of publication: Extension of antiaromatic norcorrole by cycloaddition.
• Authors of publication: Fu, Xinliang; Meng, Yankui; Li, Xiaofang; Stępień, Marcin; Chmielewski, Piotr J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 20
• Pages of publication: 2510 - 2513
• a: 15.2703 ± 0.0006 Å
• b: 15.9604 ± 0.0006 Å
• c: 16.2276 ± 0.0004 Å
• α: 81.48 ± 0.003°
• β: 83.595 ± 0.003°
• γ: 67.656 ± 0.004°
• Cell volume: 3611.1 ± 0.2 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: 0.1143
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No