Information card for entry 7126822

Structure parameters

• Formula: C312 H180 Mo12 N12 O48
• Calculated formula: C288 H160 Mo12 N12 O48
• 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: 19.686 ± 0.003 Å
• b: 27.191 ± 0.003 Å
• c: 39.897 ± 0.005 Å
• α: 90°
• β: 93.427 ± 0.003°
• γ: 90°
• Cell volume: 21318 ± 5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1969
• Residual factor for significantly intense reflections: 0.1175
• Weighted residual factors for significantly intense reflections: 0.28
• Weighted residual factors for all reflections included in the refinement: 0.3528
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No