Information card for entry 7714320

Structure parameters

• Formula: C100 H241 Cu8 N26 O81.5 S8
• Calculated formula: C100 H215 Cu8 N26 O81.4918 S7.998
• 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: 15.591 ± 0.003 Å
• b: 17.137 ± 0.002 Å
• c: 18.252 ± 0.003 Å
• α: 104.8 ± 0.02°
• β: 104.09 ± 0.02°
• γ: 112.11 ± 0.02°
• Cell volume: 4042 ± 1.7 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: 0.1021
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1905
• Weighted residual factors for all reflections included in the refinement: 0.213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No