Information card for entry 4501566

Structure parameters

• Formula: C26 H52.67 Cl6 N6 O2.34
• Calculated formula: C26 H52 Cl6 N6 O2.34
• Title of publication: Charge-assisted encapsulation of two chlorides by a hexaprotonated azamacrocycle.
• Authors of publication: Hossain, Md Alamgir; Saeed, Musabbir A.; Fronczek, Frank R.; Wong, Bryan M.; Dey, Kalpana R.; Mendy, John S.; Gibson, Don
• Journal of publication: Crystal growth & design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 1478 - 1781
• a: 10.925 ± 0.003 Å
• b: 12.736 ± 0.002 Å
• c: 12.453 ± 0.003 Å
• α: 90°
• β: 98.413 ± 0.009°
• γ: 90°
• Cell volume: 1714.1 ± 0.7 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 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: 0.076
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No