Information card for entry 1519772

Structure parameters

• Formula: C18 H15 Br8 I5 N6
• Calculated formula: C18 H15 Br8 I5 N6
• Title of publication: C18H15Br8I5N6
• Authors of publication: Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2006
• Pages of publication: 254
• a: 8.156 ± 0.002 Å
• b: 14.103 ± 0.004 Å
• c: 16.38 ± 0.006 Å
• α: 90.94 ± 0.02°
• β: 99.31 ± 0.02°
• γ: 100.91 ± 0.02°
• Cell volume: 1823.5 ± 1 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: 0.1154
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No