Information card for entry 7013125

Structure parameters

• Formula: C22 H31 Cl Cu2 N12 O5 S
• Calculated formula: C22 H31 Cl Cu2 N12 O5 S
• Title of publication: Monomeric, trimeric and polymeric assemblies of dicopper(ii) complexes of a triazolate-containing Schiff-base macrocycleElectronic supplementary information (ESI) available: Geometric data for complexes 1?6. See http://www.rsc.org/suppdata/dt/b3/b304658c/
• Authors of publication: Depree, Craig V.; Beckmann, Udo; Heslop, Katie; Brooker, Sally
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 15
• Pages of publication: 3071
• a: 17.297 ± 0.006 Å
• b: 11.743 ± 0.004 Å
• c: 16.131 ± 0.006 Å
• α: 90°
• β: 112.506 ± 0.005°
• γ: 90°
• Cell volume: 3027 ± 1.9 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 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: 0.0779
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No