Information card for entry 2008978

Structure parameters

• Common name: Di[ Cesium di(benzo-15-crown-5)] Tetracopper Hexaiodide
• Chemical name: Di[Cesium di(benzo-15-crown-5)] Tetracopper Hexaiodide
• Formula: C56 H80 Cs2 Cu4 I6 O20
• Calculated formula: C56 H80 Cs2 Cu4 I6 O20
• Title of publication: Aqua(benzo-15-crown-5)lithium‒hexa-μ-iodotetracopper‒benzo-15-crown-5 (2/1/2), bis[bis(benzo-15-crown-5)caesium] hexa-μ-iodotetracopper and μ-aqua-bis[aqua(18-crown-6)sodium] hexa-μ-iodotetracopper
• Authors of publication: Aliya Nurtaeva; Elizabeth M. Holt
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1453 - 1457
• a: 10.896 ± 0.004 Å
• b: 16.277 ± 0.005 Å
• c: 22.638 ± 0.007 Å
• α: 90°
• β: 91.37 ± 0.02°
• γ: 90°
• Cell volume: 4014 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.184
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No