Information card for entry 2203885

Structure parameters

• Common name: (cis-Cyclohexano-18-crown-6)potassium chlorochromate
• Chemical name: (cis-hexadecahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin)potassium chlorochromate
• Formula: C16 H30 Cl Cr K O9
• Calculated formula: C16 H30 Cl Cr K O9
• SMILES: [Cr](Cl)(O[K]12345[O]6[C@H]7[C@@H]([O]1CC[O]5CC[O]4CC[O]3CC[O]2CC6)CCCC7)(=O)=O
• Title of publication: (<i>cis</i>-Cyclohexano-18-crown-6)potassium chlorochromate(VI)
• 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: m1015 - m1016
• a: 14.693 ± 0.004 Å
• b: 9.221 ± 0.003 Å
• c: 16.515 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2237.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes