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Information card for entry 4503054
Preview
| Coordinates | 4503054.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H28 Cd3 N5 O17 |
|---|---|
| Calculated formula | C37 H28 Cd3 N5 O17 |
| Title of publication | Rational Design and Control of the Dimensions of Channels in a Series of 3D Pillared Metal−Organic Frameworks: Synthesis, Structures, Adsorption, and Luminescence Properties |
| Authors of publication | Xue, Ming; Zhu, Guangshan; Zhang, Yujian; Fang, Qianrong; Hewitt, Ian J.; Qiu, Shilun |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2008 |
| Journal volume | 8 |
| Journal issue | 2 |
| Pages of publication | 427 |
| a | 8.969 ± 0.003 Å |
| b | 9.419 ± 0.003 Å |
| c | 17.29 ± 0.005 Å |
| α | 100.468 ± 0.005° |
| β | 92.754 ± 0.006° |
| γ | 117.702 ± 0.004° |
| Cell volume | 1256.9 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0446 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.1112 |
| Weighted residual factors for all reflections included in the refinement | 0.1215 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179561 (current) | 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 4/50/30. |
4503054.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 {}' |
4503054.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4503054.cif |
| 41317 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4503053, 4503054, 4503055, 4503056, 4503057 via cif-deposit CGI script. |
4503054.cif |
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Users of the data should acknowledge the original authors of the
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