Information card for entry 7064113

Structure parameters

• Formula: C10 H10 N6 O3
• Calculated formula: C10 H10 N6 O3
• 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: 13.5715 ± 0.0001 Å
• b: 12.1653 ± 0.0001 Å
• c: 6.7738 ± 0.0001 Å
• α: 90°
• β: 99.392 ± 0.001°
• γ: 90°
• Cell volume: 1103.37 ± 0.02 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0327
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No