Information card for entry 2214459

Structure parameters

• Chemical name: Di-μ-chlorido-bis[2,2'-(propane-1,3-diyl)bis(2H-benzotriazole)-\ κ^2^N^1^,N^1'^]copper(I)]
• Formula: C30 H28 Cl2 Cu2 N12
• Calculated formula: C30 H28 Cl2 Cu2 N12
• SMILES: c12ccccc2nn2CCCn3[n](c4c(n3)cccc4)[Cu]3([n]12)[Cl][Cu]1([n]2c4ccccc4nn2CCCn2[n]1c1c(n2)cccc1)[Cl]3
• Title of publication: Di-μ-chlorido-bis[2,2'-(propane-1,3-diyl)bis(2<i>H</i>-benzotriazole)-κ^2^<i>N</i>^1^,<i>N</i>^1'^]copper(I)]
• Authors of publication: Zhou, Xiao-Li; Wang, Li-Ping; Meng, Xiang-Ru; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1995 - m1995
• a: 9.886 ± 0.003 Å
• b: 10.055 ± 0.003 Å
• c: 15.876 ± 0.004 Å
• α: 90°
• β: 106.401 ± 0.004°
• γ: 90°
• Cell volume: 1513.9 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes