Information card for entry 2207825

Structure parameters

• Chemical name: (18-bromo-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16- benzohexaoxacyclooctadecine)potassium chlorotrioxochromate
• Formula: C16 H23 Br Cl Cr K O9
• Calculated formula: C16 H23 Br Cl Cr K O9
• Title of publication: (4-Bromobenzo-18-crown-6)potassium chlorochromate
• Authors of publication: Kotlyar, Sergei A.; Shishkina, Svetlana V.; Shishkin, Oleg V.; Pluzhnik-Gladyr, Sergei M.; Kiriyak, Andrey V.; Chuprin, Gennady N.; Kamalov, Gerbert L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m120 - m122
• a: 11.102 ± 0.003 Å
• b: 14.93 ± 0.004 Å
• c: 13.552 ± 0.003 Å
• α: 90°
• β: 94.676 ± 0.018°
• γ: 90°
• Cell volume: 2238.8 ± 1 ų
• Cell temperature: 164 ± 2 K
• Ambient diffraction temperature: 164 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1236
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.1901
• Weighted residual factors for all reflections included in the refinement: 0.2132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes