Information card for entry 7013123

Structure parameters

• Formula: C59 H76.5 Cl4 Cu6 N33.5 O16 S2
• Calculated formula: C59 H76.5 Cl4 Cu6 N33.5 O16 S2
• 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: 12.686 ± 0.004 Å
• b: 14.481 ± 0.004 Å
• c: 24.546 ± 0.007 Å
• α: 87.383 ± 0.004°
• β: 84.732 ± 0.004°
• γ: 64.267 ± 0.004°
• Cell volume: 4045 ± 2 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1036
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.1731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No