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Information card for entry 2203885
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Coordinates | 2203885.cif |
---|---|
Structure factors | 2203885.hkl |
Original IUCr paper | HTML |
Common name | (cis-Cyclohexano-18-crown-6)potassium chlorochromate |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2203885.html
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Users of the data should acknowledge the original authors of the
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