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Information card for entry 7206397
Preview
| Coordinates | 7206397.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H12 Er N O8 |
|---|---|
| Calculated formula | C6 H12 Er N O8 |
| Title of publication | Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components |
| Authors of publication | Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 17 |
| Pages of publication | 5285 |
| a | 6.6349 ± 0.0002 Å |
| b | 8.6371 ± 0.0003 Å |
| c | 9.6727 ± 0.0003 Å |
| α | 90° |
| β | 102.101 ± 0.002° |
| γ | 90° |
| Cell volume | 541.99 ± 0.03 Å3 |
| Cell temperature | 290 K |
| Ambient diffraction temperature | 290 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0339 |
| Residual factor for significantly intense reflections | 0.0252 |
| Weighted residual factors for significantly intense reflections | 0.0443 |
| Weighted residual factors for all reflections included in the refinement | 0.0455 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
7206397.cif |
| 180394 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/63. |
7206397.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206397.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206397.cif |
| 27355 | 2011-10-03 | ../uploads/cif-deposit/cod/cif Adding structures of 7206392, 7206393, 7206394, 7206395, 7206396, 7206397, 7206398 via cif-deposit CGI script. |
7206397.cif |
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Users of the data should acknowledge the original authors of the
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