Information card for entry 2209931

Structure parameters

• Common name: (Benzo-18-crown-6)potassium chlorochromate
• Chemical name: (2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16- benzohexaoxacyclooctadecine)potassium chlorochromate
• Formula: C16 H24 Cl Cr K O9
• Calculated formula: C16 H24 Cl Cr K O9
• SMILES: [Cr](Cl)(=O)(=O)[O-].[K]12345[O]6c7c([O]5CC[O]4CC[O]3CC[O]2CC[O]1CC6)cccc7
• Title of publication: (Benzo-18-crown-6)potassium chlorochromate(VI)
• Authors of publication: Kotlyar, S. A.; Zubatyuk, R. I.; Shishkin, O. V.; Kiriyak, A. V.; Pluzhnik-Gladyr, S. M.; Kamalov, G. L
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1790 - m1792
• a: 15.8744 ± 0.0012 Å
• b: 7.8637 ± 0.001 Å
• c: 16.562 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2067.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes