Information card for entry 7009740

Structure parameters

• Formula: C36 H64 N14 O20
• Calculated formula: C36 H62 N14 O20
• Title of publication: Protonated azacryptate hosts for nitrate and perchlorate
• Authors of publication: Hynes, Michael J.; Maubert, Beatrice; McKee, Vickie; Town, Raewyn M.; Nelson, Jane
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 16
• Pages of publication: 2853
• a: 10.1676 ± 0.0008 Å
• b: 10.3453 ± 0.0008 Å
• c: 25.51 ± 0.002 Å
• α: 80.453 ± 0.002°
• β: 84.666 ± 0.002°
• γ: 62.182 ± 0.002°
• Cell volume: 2340 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.6923 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No