Information card for entry 7110536

Structure parameters

• Common name: [Cr2(OH)2(H2O)8][H4(1,4,8,11-tetraazacyclodecane)][{(p- sulfonatocalix[4]arene)2}].6(H2O)
• Formula: C33 H77 Cr N2 O27 S4
• Calculated formula: C33 H26 Cr N2 O27 S4
• Title of publication: Cyclam as a supramolecular synthon: infinite stacked arrays to encapsulation in superanions
• Authors of publication: Airey, Samantha; Drljaca, Alexander; Hardie, Michaele J.; Raston, Colin L.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 12
• Pages of publication: 1137
• a: 10.9916 ± 0.0003 Å
• b: 14.8774 ± 0.0005 Å
• c: 15.3517 ± 0.0006 Å
• α: 63.836 ± 0.001°
• β: 86.583 ± 0.002°
• γ: 80.499 ± 0.002°
• Cell volume: 2222.03 ± 0.13 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 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: 0.2347
• Residual factor for significantly intense reflections: 0.1644
• Weighted residual factors for significantly intense reflections: 0.3927
• Weighted residual factors for all reflections included in the refinement: 0.4139
• Goodness-of-fit parameter for all reflections included in the refinement: 2.277
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No