Information card for entry 1519562

Structure parameters

• Formula: C19 H21 I4 N4 S3
• Calculated formula: C19 H21 I4 N4 S3
• Title of publication: C19H21I4N4S3
• Authors of publication: Bricklebank, Neil; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2003
• Pages of publication: 901
• a: 9.1432 ± 0.0001 Å
• b: 9.9264 ± 0.0002 Å
• c: 16.5802 ± 0.0003 Å
• α: 100.098 ± 0.001°
• β: 95.733 ± 0.001°
• γ: 110.706 ± 0.001°
• Cell volume: 1364.22 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No