Information card for entry 7212013

Structure parameters

• Formula: C20 H48 Cl6 N6 O28 S2
• Calculated formula: C20 H48 Cl6 N6 O28 S2
• Title of publication: Ditopic binding of perchlorate anion to hexaazamacrocyclic hosts.
• Authors of publication: Saeed, Musabbir A.; Thompson, Jameskia J.; Fronczek, Frank R.; Hossain, Md Alamgir
• Journal of publication: CrystEngComm / RSC
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 674 - 676
• a: 8.306 ± 0.0006 Å
• b: 10.5205 ± 0.0009 Å
• c: 12.4149 ± 0.001 Å
• α: 103.619 ± 0.005°
• β: 90.201 ± 0.005°
• γ: 94.123 ± 0.005°
• Cell volume: 1051.39 ± 0.15 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 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 all reflections: 0.033
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No