Information card for entry 2009441

Structure parameters

• Formula: C22 H48 Ba Cl2 N2 O12
• Calculated formula: C22 H48 Ba Cl2 N2 O12
• Title of publication: Barium (cryptand 222B)Cl~2~.6H~2~O
• Authors of publication: William A. Pettit; Norman C. Baenziger
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 221 - 224
• a: 11.258 ± 0.004 Å
• b: 12.464 ± 0.005 Å
• c: 13.175 ± 0.004 Å
• α: 84.13 ± 0.03°
• β: 80.95 ± 0.03°
• γ: 62.83 ± 0.03°
• Cell volume: 1623.3 ± 1.1 ų
• Cell temperature: 295 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.038
• Goodness-of-fit parameter for significantly intense reflections: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No