Information card for entry 8101481

Structure parameters

• Common name: 5,7,14,16-Tetraamino-1,2,3,10,11,12-hexathia[3,3]metacyclophan * 2 DMF
• Formula: C18 H26 N6 O2 S6
• Calculated formula: C18 H26 N6 O2 S6
• Title of publication: Crystal structure of 6,8,14,16-tetraamino-2,3,4,10,11,12-hexathiatricyclo [11.3.1.15,9]octadeca-5,7,9(18),13(17),14,16-hexaen‒dimethylformamide (1/2), [C6H2(NH2)2(S3)]2 · 2DMF
• Authors of publication: Getzschmann, Jürgen; Rademacher, Otto; Doert, Thomas; Böttcher, Peter
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 2
• Pages of publication: 255 - 256
• a: 10.308 ± 0.003 Å
• b: 14.317 ± 0.004 Å
• c: 17.623 ± 0.004 Å
• α: 90 ± 0.02°
• β: 90 ± 0.02°
• γ: 90 ± 0.02°
• Cell volume: 2600.7 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1179
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No