Information card for entry 7228690

Structure parameters

• Formula: C89.08 H75.94 I12 N24 O5.28 Zn6
• Calculated formula: C89.065 H75.922 I12 N24 O5.275 Zn6
• Title of publication: The Crystalline Sponge Method: A Solvent-Based Strategy to Facilitate Noncovalent Ordered Trapping of Solid and Liquid Organic Compounds
• Authors of publication: Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng; Clardy, Jon
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 35.252 ± 0.002 Å
• b: 14.8612 ± 0.0008 Å
• c: 35.233 ± 0.002 Å
• α: 90°
• β: 108.117 ± 0.0011°
• γ: 90°
• Cell volume: 17543.1 ± 1.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.2199
• Weighted residual factors for all reflections included in the refinement: 0.2336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No