Information card for entry 2205034

Structure parameters

• Chemical name: (1,4,7,10,13,16-hexaoxacyclooctadecane-κ^6^O)potassium chlorochromate
• Formula: C12 H24 Cl Cr K O9
• Calculated formula: C12 H24 Cl Cr K O9
• SMILES: [Cr](Cl)(=O)(=O)[O-].[K+]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
• Title of publication: (18-Crown-6)potassium chlorochromate
• Authors of publication: Kotlyar, Sergei 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: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m293 - m295
• a: 15.113 ± 0.002 Å
• b: 15.692 ± 0.002 Å
• c: 16.806 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3985.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.2526
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No