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Information card for entry 2018454
Preview
| Coordinates | 2018454.cif |
|---|---|
| Structure factors | 2018454.hkl |
| Original IUCr paper | HTML |
| Chemical name | (μ-1,2-Dimethoxyethane-κ^2^<i>O</i>:<i>O</i>')bis[(1,2-dimethoxyethane- κ^2^<i>O</i>,<i>O</i>')tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olato- κ^2^<i>O</i>,<i>O</i>')cerium(III)] |
|---|---|
| Formula | C42 H36 Ce2 F36 O18 |
| Calculated formula | C42 H36 Ce2 F36 O18 |
| Title of publication | (μ-1,2-Dimethoxyethane-κ^2^<i>O</i>:<i>O</i>')bis[(1,2-dimethoxyethane-κ^2^<i>O</i>,<i>O</i>')tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olato-κ^2^<i>O</i>,<i>O</i>')cerium(III)] |
| Authors of publication | Fatila, Elisabeth M.; Jennings, Michael C.; Lough, Alan; Preuss, Kathryn E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | m100 - m103 |
| a | 9.1135 ± 0.0018 Å |
| b | 13.818 ± 0.003 Å |
| c | 24.971 ± 0.005 Å |
| α | 90° |
| β | 95.16 ± 0.03° |
| γ | 90° |
| Cell volume | 3131.9 ± 1.1 Å3 |
| Cell temperature | 147 ± 2 K |
| Ambient diffraction temperature | 147 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0492 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0609 |
| Weighted residual factors for all reflections included in the refinement | 0.0654 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180853 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/84. |
2018454.cif 2018454.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018454.cif 2018454.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018454.cif 2018454.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018454.cif 2018454.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2018454.cif 2018454.hkl |
| 55426 | 2012-05-05 | cif/ Adding structures of 2018454 via cif-deposit CGI script. |
2018454.cif |
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Users of the data should acknowledge the original authors of the
structural data.