Information card for entry 4504827

Structure parameters

• Formula: C35 H42 N O15 P2
• Calculated formula: C35 H42 N O15 P2
• Title of publication: Solid-State Complexes of Calix[4]arene Dihydroxyphosphonic Acid with Bipyridyl Ligands
• Authors of publication: Lazar, Adina N.; Dupont, Nathalie; Navaza, Alda; Coleman, Anthony W.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 669
• a: 15.17 ± 0.003 Å
• b: 13.343 ± 0.003 Å
• c: 18.523 ± 0.004 Å
• α: 90°
• β: 105.42 ± 0.03°
• γ: 90°
• Cell volume: 3614.3 ± 1.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1353
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.2048
• Weighted residual factors for all reflections included in the refinement: 0.2344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No