Information card for entry 2310150

Structure parameters

• Formula: C55.61 H47.39 Cl2.1 I6 N12 Zn3
• Calculated formula: C55.615 H47.398 Cl2.1 I6 N12 Zn3
• Title of publication: Analysis of rapidly synthesized guest-filled porous complexes with synchrotron radiation: practical guidelines for the crystalline sponge method
• Authors of publication: Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon
• Journal of publication: Acta Crystallographica Section A
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• a: 34.936 ± 0.003 Å
• b: 14.9785 ± 0.0013 Å
• c: 30.825 ± 0.003 Å
• α: 90°
• β: 102.857 ± 0.0017°
• γ: 90°
• Cell volume: 15726 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0914
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.2321
• Weighted residual factors for all reflections included in the refinement: 0.2392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.41321 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes