Information card for entry 4501739

Structure parameters

• Formula: C72 H104 O25 P6
• Calculated formula: C72 H104 O25 P6
• Title of publication: Layered Calcium Structures of p-Phosphonic Acid O-Methyl-Calix[6]arene.
• Authors of publication: Clark, Thomas E.; Martin, Adam; Makha, Mohamed; Sobolev, Alexandre N.; Su, Dian; Rohrs, Henry W.; Gross, Michael L.; Raston, Colin L.
• Journal of publication: Crystal growth & design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 7
• Pages of publication: 3211 - 3217
• a: 40.464 ± 0.005 Å
• b: 17.43 ± 0.002 Å
• c: 27.483 ± 0.004 Å
• α: 90°
• β: 123.113 ± 0.001°
• γ: 90°
• Cell volume: 16235 ± 4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1856
• Residual factor for significantly intense reflections: 0.1489
• Weighted residual factors for significantly intense reflections: 0.3559
• Weighted residual factors for all reflections included in the refinement: 0.388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No