Information card for entry 7212576

Structure parameters

• Formula: C12 H10 Cu I N4
• Calculated formula: C12 H10 Cu I N4
• Title of publication: Controllable assembly of copper(i)-iodide coordination polymers by tecton design of benzotriazol-1-yl-based pyridyl ligands: from 2D layer to 3D self-penetrating or homochiral networks
• Authors of publication: Fang, Shao-Ming; Zhang, Qiang; Hu, Min; Xiao, Bo; Zhou, Li-Ming; Sun, Guang-Hui; Gao, Li-Jun; Du, Miao; Liu, Chun-Sen
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 2203
• a: 8.4509 ± 0.0003 Å
• b: 16.1974 ± 0.0004 Å
• c: 9.8423 ± 0.0004 Å
• α: 90°
• β: 106.324 ± 0.004°
• γ: 90°
• Cell volume: 1292.93 ± 0.08 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.0407
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0266
• Weighted residual factors for all reflections included in the refinement: 0.0273
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No