Information card for entry 7208549

Structure parameters

• Formula: C72 H56 Cu3 Na2 O24
• Calculated formula: C72 H56 Cu3 Na2 O24
• Title of publication: A series of complexes constructed by different calix[4]arene derivatives
• Authors of publication: Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 6201
• a: 9.724 ± 0.003 Å
• b: 18.516 ± 0.005 Å
• c: 17.637 ± 0.006 Å
• α: 90°
• β: 99.769 ± 0.005°
• γ: 90°
• Cell volume: 3129.5 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 0.821
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No