Information card for entry 7126817

Structure parameters

• Formula: C828 H612 Mo36 N36 O180
• Calculated formula: C828 H612 Mo36 N36 O180
• 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: 26.357 ± 0.006 Å
• b: 26.357 ± 0.006 Å
• c: 56.276 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 33857 ± 13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1041
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.306
• Weighted residual factors for all reflections included in the refinement: 0.318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.356
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No