Information card for entry 7133907

Structure parameters

• Formula: C12 H18 Cl4 Cu N4
• Calculated formula: C12 H18 Cl4 Cu N4
• Title of publication: Hydrogen-bond engineering induced ferroelastic phase transition in copper-based organic-inorganic hybrid thermochromic materials.
• Authors of publication: Deng, Xin; Zhou, Lin; Yan, Xin; Wang, Yan-Juan; Yang, Wen-Li; Lv, Hui-Peng; Tang, Yuan-Yuan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 99
• Pages of publication: 14766 - 14769
• a: 13.3776 ± 0.0003 Å
• b: 8.3515 ± 0.0002 Å
• c: 15.9482 ± 0.0003 Å
• α: 90°
• β: 93.345 ± 0.002°
• γ: 90°
• Cell volume: 1778.75 ± 0.07 ų
• Cell temperature: 299.12 ± 0.1 K
• Ambient diffraction temperature: 299.12 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No