Information card for entry 7041789

Structure parameters

• Chemical name: Cu(II) carbazole Schiff-base macrocycle
• Formula: C30 H43 Cu N4 O3.5
• Calculated formula: C30 H43 Cu N4 O3.5
• 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: 15.2496 ± 0.0004 Å
• b: 16.9526 ± 0.0005 Å
• c: 11.4962 ± 0.0003 Å
• α: 90°
• β: 98.699 ± 0.002°
• γ: 90°
• Cell volume: 2937.81 ± 0.14 ų
• Cell temperature: 83 ± 2 K
• Ambient diffraction temperature: 83 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No