Information card for entry 7248060

Structure parameters

• Formula: C116 H104 Br8
• Calculated formula: C116 H104 Br8
• Title of publication: Channel confinement and separation properties in an adaptive supramolecular framework using an adamantane tecton
• Authors of publication: Lutz, Nicholas; Bicknell, Josephine; Loya, Jesus Daniel; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 8
• Pages of publication: 1067 - 1070
• a: 18.493 ± 0.0007 Å
• b: 18.493 ± 0.0007 Å
• c: 7.1799 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2455.5 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No