Information card for entry 8107556

Structure parameters

• Formula: C6 H6 Br Cu N2 O2
• Calculated formula: C6 H6 Br Cu N2 O2
• Title of publication: The crystal structure of catena-poly[5-aminonicotinic acid-k1 N-m2-bromido-copper(I)], Cu(C6N2H6O2)Br
• Authors of publication: Chen, Nuo; Zheng, Qing-Hua; Zhao, Wang; Zhou, Wei-Wei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 4
• Pages of publication: 765 - 766
• a: 16.536 ± 0.006 Å
• b: 3.8463 ± 0.0014 Å
• c: 14.403 ± 0.006 Å
• α: 90°
• β: 115.009 ± 0.005°
• γ: 90°
• Cell volume: 830.2 ± 0.6 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• 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: 0.0715
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No