Information card for entry 7126530

Structure parameters

• Formula: C38 H31 Cl6 N4 Ni
• Calculated formula: C38 H31 Cl6 N4 Ni
• Title of publication: A 2-to-2' 18-to-18' doubly linked Ni(ii) norcorrole dimer: an effectively conjugated antiaromatic dyad.
• Authors of publication: Liu, Si-Yu; Kawashima, Hiroyuki; Fukui, Norihito; Shinokubo, Hiroshi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 50
• Pages of publication: 6846 - 6849
• a: 35.3376 ± 0.0006 Å
• b: 11.9482 ± 0.0002 Å
• c: 17.8205 ± 0.0003 Å
• α: 90°
• β: 102.422 ± 0.002°
• γ: 90°
• Cell volume: 7348 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• 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: 0.1156
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.2524
• Weighted residual factors for all reflections included in the refinement: 0.2828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No