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Information card for entry 4501259
Preview
| Coordinates | 4501259.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H10 Cu N2 O4 |
|---|---|
| Calculated formula | C14 H10 Cu N2 O4 |
| Title of publication | Adsorbate Selectivity of Isoreticular Microporous Metal‒Organic Frameworks with Similar Static Pore Dimensions |
| Authors of publication | Liu, Xinfang; Oh, Minhak; Lah, Myoung Soo |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2011 |
| Journal volume | 11 |
| Journal issue | 11 |
| Pages of publication | 5064 |
| a | 18.621 ± 0.003 Å |
| b | 18.621 ± 0.003 Å |
| c | 69.793 ± 0.014 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 20958 ± 6 Å3 |
| Cell temperature | 99 ± 2 K |
| Ambient diffraction temperature | 99 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0785 |
| Residual factor for significantly intense reflections | 0.0734 |
| Weighted residual factors for significantly intense reflections | 0.2157 |
| Weighted residual factors for all reflections included in the refinement | 0.2209 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.8 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' 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 524 files were changed. |
4501259.cif |
| 179543 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/12. |
4501259.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501259.cif |
| 34829 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4501259 via cif-deposit CGI script. |
4501259.cif |
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Users of the data should acknowledge the original authors of the
structural data.