Information card for entry 7041790

Structure parameters

• Chemical name: Ni(II) carbazole Schiff-base macrocycle
• Formula: C22 H26 N4 Ni O3
• Calculated formula: C22 H26 N4 Ni O3
• Title of publication: Carbazole-based N4-donor Schiff base macrocycles: obtained metal free and as Cu(ii) and Ni(ii) complexes.
• Authors of publication: Malthus, Stuart J.; Wilson, Rajni K.; Vikas Aggarwal, A.; Cameron, Scott A.; Larsen, David S.; Brooker, Sally
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 3141 - 3149
• a: 6.6646 ± 0.0003 Å
• b: 12.9442 ± 0.0004 Å
• c: 23.1878 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2000.36 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2532
• Weighted residual factors for all reflections included in the refinement: 0.2554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No