Information card for entry 7233965

Structure parameters

• Formula: C12 H10 Br2 N2 O2 Zn
• Calculated formula: C12 H10 Br2 N2 O2 Zn
• Title of publication: Rare electron-transfer photochromic and thermochromic difunctional compounds
• Authors of publication: Pei-Xin Li; Ming-Sheng Wang; Li-Zhen Cai; Guan-E. Wang; Guo-Cong Guo
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 253 - 256
• a: 21.005 ± 0.004 Å
• b: 9.1974 ± 0.0009 Å
• c: 16.531 ± 0.003 Å
• α: 90°
• β: 114.679 ± 0.008°
• γ: 90°
• Cell volume: 2901.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0789
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No