Information card for entry 4346602

Structure parameters

• Chemical name: catena-poly[(2-amino-5-nitropyridine-kN1)(mu3-thiocyanato-kN:kS:kS)copper(I)]
• Formula: C6 H5 Cu N4 O2 S
• Calculated formula: C6 H5 Cu N4 O2 S
• 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: 5.8985 ± 0.0001 Å
• b: 14.2513 ± 0.0003 Å
• c: 10.8843 ± 0.0002 Å
• α: 90°
• β: 105.129 ± 0.001°
• γ: 90°
• Cell volume: 883.24 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No