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Information card for entry 2238203
Preview
| Coordinates | 2238203.cif |
|---|---|
| Structure factors | 2238203.hkl |
| Original IUCr paper | HTML |
| Chemical name | (4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)sodium iodide‒1,1,2,2,tetrafluoro-1,2-diiodoethane (2/3) |
|---|---|
| Formula | C21 H36 F6 I4 N2 Na O6 |
| Calculated formula | C21 H36 F6 I4 N2 Na O6 |
| Title of publication | (4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)sodium iodide‒1,1,2,2,tetrafluoro-1,2-diiodoethane (2/3) |
| Authors of publication | Cavallo, Gabriella; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Ursini, Maurizio; Terraneo, Giancarlo |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | m387 - m388 |
| a | 11.634 ± 0.002 Å |
| b | 11.634 ± 0.002 Å |
| c | 84.945 ± 0.015 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 9957 ± 3 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.0377 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0744 |
| Weighted residual factors for all reflections included in the refinement | 0.0764 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181304 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/82. |
2238203.cif 2238203.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2238203.cif 2238203.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2238203.cif 2238203.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238203.cif 2238203.hkl |
| 87450 | 2013-08-27 | cif/ Adding structures of 2238203 via cif-deposit CGI script. |
2238203.cif |
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