Information card for entry 4502862

Structure parameters

• Formula: C57.48 H40.12 Br4 N1.16 O9.16
• Calculated formula: C57.492 H40.148 Br4 N1.164 O9.164
• Title of publication: Influence of Halogen Bonding Interactions in Crystalline Networks of Tetraarylethylene Halobenzoyl Esters
• Authors of publication: Kapadia, Pradeep P.; Swenson, Dale C.; Pigge, F. Christopher
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 698
• a: 10.2173 ± 0.0011 Å
• b: 16.4911 ± 0.0017 Å
• c: 19.045 ± 0.002 Å
• α: 65.831 ± 0.005°
• β: 85.161 ± 0.005°
• γ: 73.224 ± 0.005°
• Cell volume: 2801 ± 0.5 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.1038
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.2116
• Weighted residual factors for all reflections included in the refinement: 0.24
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No