Information card for entry 7714319

Structure parameters

• Formula: C98 H171 Cl16 Cu8 N25 O16
• Calculated formula: C98 H159 Cl16 Cu8 N25 O16
• Title of publication: Hexa- and octanuclear copper(II) complexes with tetraeicosaaza amine macrocycle
• Authors of publication: Gregoliński, Janusz; Fedorowicz, Dominka; Ślepokura, Katarzyna; Kłak, Julia; Witwicki, Maciej
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.065 ± 0.002 Å
• b: 18.867 ± 0.005 Å
• c: 19.228 ± 0.004 Å
• α: 109.78 ± 0.02°
• β: 95.56 ± 0.02°
• γ: 97.3 ± 0.02°
• Cell volume: 3369.6 ± 1.4 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: 0.1073
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.2334
• Weighted residual factors for all reflections included in the refinement: 0.2514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No