Information card for entry 7249141

Structure parameters

• Formula: C20 H16 Br2 Cd N4 O5 S2
• Calculated formula: C20 H18 Br2 Cd N4 O5 S2
• Title of publication: Extended viologen compounds with photochromism, photoresponsive luminescence and ultrahigh quenching efficiency
• Authors of publication: Liu, Lu; Zhang, Le-Tian; Yuan, Feng-Chen; Ren, Hong-Xia; Ma, Yue; Wang, Qing-Lun
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 33
• Pages of publication: 4431 - 4438
• a: 8.3132 ± 0.0002 Å
• b: 8.5739 ± 0.0002 Å
• c: 16.6728 ± 0.0004 Å
• α: 81.781 ± 0.002°
• β: 88.042 ± 0.002°
• γ: 89.048 ± 0.002°
• Cell volume: 1175.4 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No