Information card for entry 1550269

Structure parameters

• Formula: C18 H14 Cu I N4
• Calculated formula: C18 H14 Cu I N4
• Title of publication: Copper(i)-polymers and their photoluminescence thermochromism properties.
• Authors of publication: Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2019
• Journal volume: 18
• Journal issue: 2
• Pages of publication: 477 - 486
• a: 10.0197 ± 0.0008 Å
• b: 7.6791 ± 0.0006 Å
• c: 22.4578 ± 0.0018 Å
• α: 90°
• β: 101.735 ± 0.003°
• γ: 90°
• Cell volume: 1691.8 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297.3 K
• Number of distinct elements: 5
• 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: 0.0472
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No