Information card for entry 7125539

Structure parameters

• Formula: C26 H50 Cl2 N6 O4 Pd S4
• Calculated formula: C26 H50 Cl2 N6 O4 Pd S4
• 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: 15.283 ± 0.009 Å
• b: 11.365 ± 0.006 Å
• c: 10.302 ± 0.006 Å
• α: 90°
• β: 95.31 ± 0.04°
• γ: 90°
• Cell volume: 1781.7 ± 1.8 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No