Information card for entry 7120533

Structure parameters

• Common name: P3R1C3, Zn, py, NO3
• Chemical name: C-propylpyrogallol[3]resorcin[1]arene, zinc, pyridine, nitrate
• Formula: C123 H109 N9 O28 Zn7
• Calculated formula: C123 H109 N9 O28 Zn7
• Title of publication: Self-assembly of M7L2 Metal-Organic Nanocapsules Using Mixed Macrocycles
• Authors of publication: Zhang, Chen; Sikligar, Kanishka; Patil, Rahul S.; Barnes, Charles L.; Teat, Simon; Atwood, Jerry L.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 28.6437 ± 0.0012 Å
• b: 25.887 ± 0.001 Å
• c: 16.8049 ± 0.0006 Å
• α: 90°
• β: 90.588 ± 0.002°
• γ: 90°
• Cell volume: 12460.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1631
• Residual factor for significantly intense reflections: 0.132
• Weighted residual factors for significantly intense reflections: 0.4146
• Weighted residual factors for all reflections included in the refinement: 0.4675
• Goodness-of-fit parameter for all reflections included in the refinement: 2.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No