Information card for entry 4323069

Structure parameters

• Formula: C37 H25 Br2 F8 In2 N5
• Calculated formula: C37 H20 Br2 F8 In2 N5
• Title of publication: Perfluorinated Diindacycles
• Authors of publication: Martin Tschinkl; Annette Schier; Jürgen Riede; François P. Gabbaï
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 5097 - 5101
• a: 17.632 ± 0.002 Å
• b: 15.01 ± 0.001 Å
• c: 14.562 ± 0.001 Å
• α: 90°
• β: 101.72 ± 0.01°
• γ: 90°
• Cell volume: 3773.6 ± 0.6 ų
• Cell temperature: 195 ± 2 K
• Ambient diffraction temperature: 195 ± 2 K
• Number of distinct elements: 6
• 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: 0.0687
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for all reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.0726
• Goodness-of-fit parameter for all reflections: 1.031
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No