Information card for entry 2210921

Structure parameters

• Chemical name: catena-Poly[[chlorocopper(I)]-μ-[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol- 1-yl)propan-2-ol-κ^2^N:N']]
• Formula: C13 H12 Cl Cu F2 N6 O
• Calculated formula: C13 H12 Cl Cu F2 N6 O
• SMILES: [Cu](Cl)[n]1cnn(c1)CC(O)(c1c(F)cc(F)cc1)Cn1nc[n](c1)[Cu](Cl)[n]2cnn(c2)CC(O)(c2c(F)cc(F)cc2)Cn1cnnc1
• Title of publication: <i>catena</i>-Poly[[chlorocopper(I)]-μ-[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol-κ^2^<i>N</i>:<i>N</i>']]
• Authors of publication: Yun Gong; Chang-Wen Hu; Zhi-Ning Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2997 - m2999
• a: 14.549 ± 0.004 Å
• b: 7.5683 ± 0.0018 Å
• c: 14.342 ± 0.003 Å
• α: 90°
• β: 104.771 ± 0.003°
• γ: 90°
• Cell volume: 1527 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0433
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes