Information card for entry 7027495

Structure parameters

• Chemical name: Compound 3
• Formula: C108 H216 Cs9 Cu24 I33 O54
• Calculated formula: C108 H216 Cs9 Cu24 I32.98 O54
• Title of publication: Extended multidecker sandwich architecture of Cs±-18-crown-6 complexes stabilized in the environment of novel large iodocuprate(I) clusters obtained from zerovalent copper
• Authors of publication: Domasevitch, Konstantin V.; Rusanova, Julia A.; Vassilyeva, Olga Yu.; Kokozay, Vladimir N.; Squattrito, Philip J.; Sieler, Joachim; Raithby, Paul R.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 17
• Pages of publication: 3087
• a: 28.2558 ± 0.0001 Å
• b: 28.2558 ± 0.0001 Å
• c: 28.2558 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22559.2 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.1196
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for all reflections: 0.2469
• Weighted residual factors for significantly intense reflections: 0.1974
• Goodness-of-fit parameter for all reflections: 1.148
• Goodness-of-fit parameter for significantly intense reflections: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No