Information card for entry 4349118

Structure parameters

• Formula: C24 H22 Bi2 Cl10 N10 O6
• Calculated formula: C24 H22 Bi2 Cl10 N10 O6
• SMILES: c1(cccc[nH+]1)c1nnc(c2cccc[nH+]2)[nH]1.c1(cccc[nH+]1)c1nnc(c2cccc[nH+]2)[nH]1.O.O.O.O.O.[OH2][Bi](Cl)(Cl)(Cl)(Cl)[Cl][Bi](Cl)(Cl)(Cl)(Cl)Cl
• Title of publication: Bipyridyltriazolium Chlorobismuthate with Thermo-/Photochromic and Photoluminescent Switching Behaviors Based on ET and CT^†.
• Authors of publication: Li, Guoping; Hao, Pengfei; Shen, Junju; Yu, Tanlai; Li, Huihui; Fu, Yunlong
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 21
• Pages of publication: 11342 - 11347
• a: 10.6906 ± 0.0005 Å
• b: 21.0234 ± 0.0014 Å
• c: 19.7359 ± 0.0012 Å
• α: 90°
• β: 101.948 ± 0.006°
• γ: 90°
• Cell volume: 4339.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No