Information card for entry 4346599

Structure parameters

• Chemical name: catena-poly[(m3-bromide)(2-amino-5-nitropyridine)copper(I)]
• Formula: C5 H5 Br Cu N3 O2
• Calculated formula: C5 H5 Br Cu N3 O2
• Title of publication: Halo and Pseudohalo Cu(I)-Pyridinato Double Chains with Tunable Physical Properties.
• Authors of publication: Hassanein, K.; Amo-Ochoa, P; Gómez-García, C J; Delgado, S.; Castillo, O.; Ocón, P; Martínez, J I; Perles, J.; Zamora, F.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 10738 - 10747
• a: 3.7808 ± 0.0001 Å
• b: 7.2375 ± 0.0002 Å
• c: 28.815 ± 0.0011 Å
• α: 90°
• β: 92.565 ± 0.003°
• γ: 90°
• Cell volume: 787.69 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0441
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.374
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No