Information card for entry 7200297

Structure parameters

• Common name: Cu4 (C12H8N2)6 (C24H8S8O24) 4.49H2O
• Formula: C96 H64.99 Cu4 N12 O28.49 S8
• Calculated formula: C96 H56 Cu4 N12 O28.484 S8
• Title of publication: Five supramolecular compounds of water-soluble sulfonylcalix[4]arenetetrasulfonate showing two calixarene conformations
• Authors of publication: Bi, Y. F.; Liao, W. P.; Wang, X. F.; Li, Y. L.; Su, Z. M.; Liu, Y. B.; Zhang, H. J.; Li, D. Q.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 597
• a: 23.405 ± 0.006 Å
• b: 13.707 ± 0.006 Å
• c: 30.577 ± 0.009 Å
• α: 90°
• β: 93.075 ± 0.008°
• γ: 90°
• Cell volume: 9795 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1149
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1803
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No