Information card for entry 7132673

Structure parameters

• Formula: C52 H80 Co2 N20 O12 P4
• Calculated formula: C52 H80 Co2 N20 O12 P4
• 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: 17.5968 ± 0.0015 Å
• b: 10.1687 ± 0.001 Å
• c: 18.3843 ± 0.0017 Å
• α: 90°
• β: 92.14 ± 0.003°
• γ: 90°
• Cell volume: 3287.3 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0689
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No