Information card for entry 7125540

Structure parameters

• Formula: C34 H66 Cl6 Cu3 N8 O5 S6
• Calculated formula: C34 Cl6 Cu3 N8 O5 S6
• Title of publication: Ditopic azathioether macrocycles as hosts for transition metal saltsElectronic supplementary information (ESI) available: full experimental details. See http://www.rsc.org/suppdata/cc/b1/b109486f/
• Authors of publication: Love, Jason B.; Vere, Joanna M.; Glenny, Mark W.; Blake, Alexander J.; Schröder, Martin
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 24
• Pages of publication: 2678
• a: 9.419 ± 0.006 Å
• b: 17.06 ± 0.02 Å
• c: 33.09 ± 0.02 Å
• α: 90°
• β: 93.2 ± 0.05°
• γ: 90°
• Cell volume: 5309 ± 8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.218
• Residual factor for significantly intense reflections: 0.128
• Weighted residual factors for significantly intense reflections: 0.257
• Weighted residual factors for all reflections included in the refinement: 0.303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.49
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No