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Information card for entry 4339976
Preview
| Coordinates | 4339976.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H11 N2 O5 Tb |
|---|---|
| Calculated formula | C20 H11 N2 O5 Tb |
| Title of publication | Lanthanide-Organic Coordination Frameworks Showing New 5-Connected Network Topology and 3D Ordered Array of Single-Molecular Magnet Behavior in the Dy Case. |
| Authors of publication | Chen, Min; Sañudo, E Carolina; Jiménez, Erika; Fang, Shao-Ming; Liu, Chun-Sen; Du, Miao |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 13 |
| Pages of publication | 6708 - 6714 |
| a | 9.7851 ± 0.0011 Å |
| b | 13.9179 ± 0.0016 Å |
| c | 12.1056 ± 0.0014 Å |
| α | 90° |
| β | 97.227 ± 0.001° |
| γ | 90° |
| Cell volume | 1635.5 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0193 |
| Residual factor for significantly intense reflections | 0.0166 |
| Weighted residual factors for significantly intense reflections | 0.0382 |
| Weighted residual factors for all reflections included in the refinement | 0.0396 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179502 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/99. |
4339976.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4339976.cif |
| 121166 | 2014-08-05 | cif/ Updating files of 4339972, 4339973, 4339974, 4339975, 4339976 Original log message: Adding full bibliography for 4339972--4339976.cif. |
4339976.cif |
| 117810 | 2014-06-18 | cif/ Adding structures of 4339972, 4339973, 4339974, 4339975, 4339976 via cif-deposit CGI script. |
4339976.cif |
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Users of the data should acknowledge the original authors of the
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