Information card for entry 7126819

Structure parameters

• Formula: C240 H120 Br12 Cr12 N12 O60
• Calculated formula: C240 H120 Br12 Cr12 N12 O60
• Title of publication: Design and synthesis of aryl-functionalized carbazole-based porous coordination cages.
• Authors of publication: Rowland, Casey A.; Lorzing, Gregory R.; Bhattacharjee, Rameswar; Caratzoulas, Stavros; Yap, Glenn P. A.; Bloch, Eric D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 65
• Pages of publication: 9352 - 9355
• a: 42.1022 ± 0.0012 Å
• b: 27.7671 ± 0.0008 Å
• c: 37.031 ± 0.001 Å
• α: 90°
• β: 104.565 ± 0.0014°
• γ: 90°
• Cell volume: 41900 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1831
• Residual factor for significantly intense reflections: 0.1121
• Weighted residual factors for significantly intense reflections: 0.3113
• Weighted residual factors for all reflections included in the refinement: 0.3726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.249
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No