Information card for entry 4502855

Structure parameters

• Formula: C58.719 H43.011 I4 N1.573 O9.573
• Calculated formula: C58.719 H43.011 I4 N1.573 O9.573
• 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: 10.223 ± 0.0011 Å
• b: 16.4842 ± 0.0017 Å
• c: 19.0391 ± 0.0019 Å
• α: 65.799 ± 0.005°
• β: 85.211 ± 0.005°
• γ: 73.177 ± 0.005°
• Cell volume: 2798.9 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.123
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No