Information card for entry 2101452

Structure parameters

• Formula: C42 H92.5 Ca2 Cl4 O46.25
• Calculated formula: C42 H49 Ca2 Cl4 O47
• Title of publication: First sphere coordination of divalent metal cations by cyclodextrin: structure of the β-cyclodextrin‒calcium chloride‒water (1/2/11.25) compound
• Authors of publication: Nicolis, I.; Coleman, A. W.; Charpin, P.; Rango, C. de
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 122 - 130
• a: 15.875 ± 0.001 Å
• b: 17.583 ± 0.001 Å
• c: 24.27 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6774.5 ± 0.8 ų
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No