Information card for entry 7105166

Structure parameters

• Formula: C30 H69 N17 O33 S3
• Calculated formula: C30 H56 N17 O33 S3
• Title of publication: Unusual bridging of three nitrates with two bridgehead protons in an octaprotonated azacryptand.
• Authors of publication: Saeed, Musabbir A; Fronczek, Frank R; Huang, Ming-Ju; Alamgir Hossain, Md
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 404 - 406
• a: 17.394 ± 0.002 Å
• b: 13.713 ± 0.002 Å
• c: 23.772 ± 0.003 Å
• α: 90°
• β: 106.553 ± 0.006°
• γ: 90°
• Cell volume: 5435.2 ± 1.2 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 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: 0.128
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.243
• Weighted residual factors for all reflections included in the refinement: 0.278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No