Information card for entry 4510023

Structure parameters

• Formula: C113 H137 N3 O17 Zn2
• Calculated formula: C108 H126 N2 O16 Zn2
• Title of publication: Pillared Two-Dimensional Metal–Organic Frameworks Based on a Lower-Rim Acid Appended Calix[4]arene
• Authors of publication: Redshaw, Carl; Rowe, Oliver; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 270
• a: 10.539 ± 0.008 Å
• b: 12.738 ± 0.01 Å
• c: 23.029 ± 0.019 Å
• α: 103.24 ± 0.016°
• β: 95.592 ± 0.014°
• γ: 91.319 ± 0.017°
• Cell volume: 2992 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1431
• Residual factor for significantly intense reflections: 0.1246
• Weighted residual factors for significantly intense reflections: 0.3338
• Weighted residual factors for all reflections included in the refinement: 0.3485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No