Information card for entry 7053368

Structure parameters

• Formula: C74 H88 Cu2 F12 N16 O22 Si2
• Calculated formula: C74 H64 Cu2 F12 N16 O23.12 Si2
• Title of publication: Metalla-macro-tricyclic cryptands: anion encapsulation and selective separation of sulfate via in situ crystallization
• Authors of publication: Adarsh, N. N.; Tocher, Derek A.; Ribas, Joan; Dastidar, Parthasarathi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2458
• a: 13.089 ± 0.005 Å
• b: 13.512 ± 0.005 Å
• c: 14.983 ± 0.009 Å
• α: 105.233 ± 0.012°
• β: 97.716 ± 0.012°
• γ: 113.793 ± 0.008°
• Cell volume: 2251.2 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No