Information card for entry 7208814

Structure parameters

• Formula: C43 H54 Cl3 Cu4 N10 O3 S4
• Calculated formula: C43 H54 Cl3 Cu4 N10 O3 S4
• SMILES: c12c(ccc(c1)Cl)O[Cu]1([N](=C2)CC[N]1(CC)CC)[N]#CS[Cu](N=C=S)(SC#[N][Cu]12Oc3c(cc(cc3)Cl)C=[N]1CC[N]2(CC)CC)SC#[N][Cu]12Oc3c(cc(cc3)Cl)C=[N]1CC[N]2(CC)CC
• Title of publication: Two lantern-like 1D polymeric Schiff base copper(i/ii) complexes derived from copper(ii) salts containing rarely seen [CuI(NCS)4] bridges
• Authors of publication: You, Zhong-Lu; Xian, Dong-Mei; Zhang, Mei
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 7133
• a: 20.925 ± 0.002 Å
• b: 20.925 ± 0.002 Å
• c: 20.61 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7815.2 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No