Information card for entry 4346598

Structure parameters

• Chemical name: catena-poly[(2-amino-5-nitropyridine-kN1)(mu3-chlorido)copper(I)]
• Formula: C5 H5 Cl Cu N3 O2
• Calculated formula: C5 H5 Cl 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: 3.706 ± 0.0002 Å
• b: 15.3779 ± 0.0011 Å
• c: 13.3228 ± 0.0008 Å
• α: 90°
• β: 92.006 ± 0.005°
• γ: 90°
• Cell volume: 758.81 ± 0.08 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: 0.059
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No