Information card for entry 7240540

Structure parameters

• Formula: C50 H36 Cl8 I4 N4
• Calculated formula: C50 H36 Cl8 I4 N4
• Title of publication: A diamondoid net sustained by halogen bonds: employing a cyclobutane to generate a tetrahedral architecture
• Authors of publication: Oburn, Shalisa M.; Santana, Carlos; Elacqua, Elizabeth; Groeneman , Ryan
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 11.0411 ± 0.0004 Å
• b: 16.8624 ± 0.0007 Å
• c: 28.2059 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5251.4 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0144
• Residual factor for significantly intense reflections: 0.014
• Weighted residual factors for significantly intense reflections: 0.0319
• Weighted residual factors for all reflections included in the refinement: 0.0323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No