Information card for entry 7027493

Structure parameters

• Chemical name: Compound 1
• Formula: C28 H54 Cs Cu5 I6 N2 O12
• Calculated formula: C28 H54 Cs Cu5 I6 N2 O12
• 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: 10.891 ± 0.002 Å
• b: 10.959 ± 0.002 Å
• c: 21.645 ± 0.004 Å
• α: 88.93 ± 0.03°
• β: 89.58 ± 0.03°
• γ: 82.31 ± 0.03°
• Cell volume: 2559.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0788
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections: 0.1372
• Weighted residual factors for significantly intense reflections: 0.1022
• Goodness-of-fit parameter for all reflections: 0.915
• Goodness-of-fit parameter for significantly intense reflections: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No