Information card for entry 7117407

Structure parameters

• Formula: C95.1 H90 Cl13.31 N24 O3.78 Zn6
• Calculated formula: C95.103 H89.993 Cl13.305 N24 O3.778 Zn6
• Title of publication: The crystalline sponge method: MOF terminal ligand effects
• Authors of publication: Timothy R. Ramadhar; Shao-Liang Zheng; Yu-Sheng Chen; Jon Clardy
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 11252
• a: 33.391 ± 0.002 Å
• b: 14.3975 ± 0.001 Å
• c: 33.897 ± 0.002 Å
• α: 90°
• β: 105.272 ± 0.0012°
• γ: 90°
• Cell volume: 15720.4 ± 1.7 ų
• Cell temperature: 100 ± 2 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: 0.1178
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.2399
• Weighted residual factors for all reflections included in the refinement: 0.273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.40656 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No