Information card for entry 7104481

Structure parameters

• Formula: C66 H66 Cl2 N16 O20
• Calculated formula: C66 H66 Cl2 N16 O20
• Title of publication: Formation of a nitrate zipped dimeric capsule and un-zipping by chloride doping.
• Authors of publication: Arunachalam, M; Ghosh, Pradyut
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 22
• Pages of publication: 3184 - 3186
• a: 22.891 ± 0.003 Å
• b: 11.2053 ± 0.0012 Å
• c: 13.5851 ± 0.0015 Å
• α: 90°
• β: 100.816 ± 0.003°
• γ: 90°
• Cell volume: 3422.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1134
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.2927
• Weighted residual factors for all reflections included in the refinement: 0.3115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No