Information card for entry 4509594

Structure parameters

• Formula: C29 H36 Ca O20 P4
• Calculated formula: C29 H22 Ca O20 P4
• Title of publication: Variable Intercalation of Calcium Ions in Bilayers of Partially Deprotonatedp-Phosphonic Acid Calix[4]arene
• Authors of publication: Martin, Adam D.; Sobolev, Alexandre N.; Spackman, Mark A.; Raston, Colin L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 3759
• a: 11.659 ± 0.004 Å
• b: 11.659 Å
• c: 27.431 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3728.8 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.1725
• Residual factor for significantly intense reflections: 0.1392
• Weighted residual factors for significantly intense reflections: 0.3449
• Weighted residual factors for all reflections included in the refinement: 0.3625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No