Information card for entry 4513419

Structure parameters

• Formula: C42 H42 N2 O14 Pb2
• Calculated formula: C42 H42 N2 O14 Pb2
• Title of publication: 3D Metal‒Organic Framework Based on a Lower-Rim Acid-Functionalized Calix[4]arene: Crystal-to-Crystal Transformation upon Lattice Solvent Removal
• Authors of publication: Lee, Eunji; Kim, Younghoon; Heo, Jungseok; Park, Ki-Min
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 3556
• a: 10.2394 ± 0.0003 Å
• b: 37.7863 ± 0.001 Å
• c: 10.0731 ± 0.0003 Å
• α: 90°
• β: 97.144 ± 0.001°
• γ: 90°
• Cell volume: 3867.12 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No