Information card for entry 7064111

Structure parameters

• Formula: C20 H28 Cu4 N24 O8
• Calculated formula: C20 H28 Cu4 N24 O8
• Title of publication: Antiferromagnetic cyclic tetrameric copper(ii) complex and 8-azaxanthine derived from 1,3-dimethyl-5-(5′-methyl-3′-isoxazolyl-azo)-6-aminouracil: structures, non-covalent interactions and magnetism
• Authors of publication: Das, Nishan; Nandi, Nishithendu Bikash; Kłak, Julia; Sieroń, Lesław; Novikov, Alexander S.; Maniukiewicz, Waldemar; Misra, Tarun Kumar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 46
• Pages of publication: 20024 - 20038
• a: 8.3413 ± 0.0003 Å
• b: 8.5591 ± 0.0003 Å
• c: 12.6987 ± 0.0004 Å
• α: 107.43 ± 0.02°
• β: 104.455 ± 0.002°
• γ: 93.15 ± 0.002°
• Cell volume: 829.3 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No