Information card for entry 2003404

Structure parameters

• Common name: Kalium(2.2-Crypt)triiodid
• Chemical name: Kalium-1,4,10,13-Tetraoxa-7,16-diazacyclooctadecan-triiodid
• Formula: C12 H26 I3 K N2 O4
• Calculated formula: C12 H26 I3 K N2 O4
• SMILES: [K]12345[O]6CC[NH]1CC[O]2CC[O]3CC[NH]4CC[O]5CC6.[I-](I)I
• Title of publication: Kalium-2,2-Crypt-triiodid
• Authors of publication: Tebbe, K.-F.; Kavoosian, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 562 - 565
• a: 15.121 ± 0.002 Å
• b: 8.475 ± 0.002 Å
• c: 18.357 ± 0.002 Å
• α: 90°
• β: 105.6 ± 0.02°
• γ: 90°
• Cell volume: 2265.8 ± 0.7 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: 0.041
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for all reflections: 0.1032
• Weighted residual factors for significantly intense reflections: 0.1003
• Goodness-of-fit parameter for all reflections: 1.465
• Goodness-of-fit parameter for significantly intense reflections: 1.534
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No