Information card for entry 7132671

Structure parameters

• Formula: C52 H80 N20 O12 P4 Zn2
• Calculated formula: C52 H80 N20 O12 P4 Zn2
• Title of publication: Rigid PN cages as 3-dimensional building blocks for crystalline or amorphous networked materials.
• Authors of publication: Shayan, Mohsen; Abdollahi, Maryam F.; Lawrence, Mason Chester; Guinand, Etienne C.; Goulet, Maxime; George, Tanner; Masuda, Jason D.; Katz, Michael J.; Laventure, Audrey; Werner-Zwanziger, Ulrike; Chitnis, Saurabh S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 19
• Pages of publication: 2629 - 2632
• a: 17.7137 ± 0.0004 Å
• b: 10.1405 ± 0.0002 Å
• c: 18.5083 ± 0.0004 Å
• α: 90°
• β: 92.467 ± 0.001°
• γ: 90°
• Cell volume: 3321.49 ± 0.12 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1846
• Residual factor for significantly intense reflections: 0.1352
• Weighted residual factors for significantly intense reflections: 0.3327
• Weighted residual factors for all reflections included in the refinement: 0.4196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.664
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No