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Information card for entry 4507067
Preview
| Coordinates | 4507067.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H31 Cd2 N4 O16 S2 |
|---|---|
| Calculated formula | C46 H31 Cd2 N4 O16 S2 |
| Title of publication | Structural Diversity and Properties of Six 2D or 3D Metal‒Organic Frameworks Based on Thiophene-Containing Ligand |
| Authors of publication | Qin, Ling; Li, Yizhi; Guo, Zijian; Zheng, Hegen |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2012 |
| Journal volume | 12 |
| Journal issue | 11 |
| Pages of publication | 5783 |
| a | 10.3359 ± 0.0009 Å |
| b | 10.9742 ± 0.001 Å |
| c | 13.6908 ± 0.0012 Å |
| α | 91.612 ± 0.001° |
| β | 111.91 ± 0.001° |
| γ | 107.339 ± 0.001° |
| Cell volume | 1358.2 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0544 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1246 |
| Weighted residual factors for all reflections included in the refinement | 0.1287 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| 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. |
4507067.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4507067.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4507067.cif |
| 71950 | 2013-01-21 | cif/ Adding structures of 4507066, 4507067, 4507068, 4507069, 4507070, 4507071 via cif-deposit CGI script. |
4507067.cif |
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Users of the data should acknowledge the original authors of the
structural data.