Information card for entry 7129053

Structure parameters

• Formula: C7 H17 Cl2 Cr N O3
• Calculated formula: C7 H17 Cl2 Cr N O3
• Title of publication: Ferroelectric properties, narrow band gap and ultra-large reversible entropy change in a novel nonlinear ionic chromium(VI) compound.
• Authors of publication: Han, Ding-Chong; Gong, Zhi-Xiang; Song, Ning; Tan, Yu-Hui; Li, Yu-Kong; Tang, Yun-Zhi; Du, Peng-Kang; Zhang, Hao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 85
• Pages of publication: 11225 - 11228
• a: 11.8344 ± 0.0006 Å
• b: 7.8851 ± 0.0003 Å
• c: 14.4218 ± 0.0012 Å
• α: 90°
• β: 113.414 ± 0.005°
• γ: 90°
• Cell volume: 1234.96 ± 0.14 ų
• Cell temperature: 297.98 ± 0.1 K
• Ambient diffraction temperature: 297.98 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No