Information card for entry 2203944

Structure parameters

• Common name: bis(cis-cyclohexano-12-crown-4)-potassium chlorochromate
• Chemical name: bis(cis-dodecahydro-1,4,7,10-benzotetraoxacyclododecin)- potassium chlorochromate
• Formula: C24 H44 Cl Cr K O11
• Calculated formula: C24 H44 Cl Cr K O11
• SMILES: [Cr](Cl)(=O)(=O)[O-].[K]123456([O]7[C@H]8[C@@H]([O]3CC[O]2CC[O]1CC7)CCCC8)[O]1[C@H]2[C@@H]([O]6CC[O]5CC[O]4CC1)CCCC2
• Title of publication: Bis(<i>cis</i>-cyclohexano-12-crown-4)potassium chlorochromate
• Authors of publication: Kotlyar, Sergey A.; Zubatyuk, Roman I.; Shishkin, Oleg V.; Chuprin, Gennady N.; Kiriyak, Andrey V.; Kamalov, Gerbert L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: m907 - m909
• a: 10.244 ± 0.003 Å
• b: 15.246 ± 0.005 Å
• c: 20.302 ± 0.006 Å
• α: 94.58 ± 0.02°
• β: 101 ± 0.02°
• γ: 95.88 ± 0.03°
• Cell volume: 3080.1 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1438
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1629
• Weighted residual factors for all reflections included in the refinement: 0.1801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes