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Information card for entry 4511383
Preview
| Coordinates | 4511383.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H36 Cd F3 N3 O5 |
|---|---|
| Calculated formula | C47 H36 Cd F3 N3 O5 |
| Title of publication | Stepwise Host‒Guest [2 + 2] Photoreaction in a Hydrogen-Bonded One-Dimensional Coordination Polymer to a Two-Dimensional Layered Structure |
| Authors of publication | Medishetty, Raghavender; Tandiana, Rika; Vittal, Jagadese J. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 7 |
| Pages of publication | 3186 |
| a | 29.311 ± 0.003 Å |
| b | 5.9604 ± 0.0005 Å |
| c | 21.7006 ± 0.0019 Å |
| α | 90° |
| β | 94.511 ± 0.002° |
| γ | 90° |
| Cell volume | 3779.5 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0558 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.1213 |
| Weighted residual factors for all reflections included in the refinement | 0.1311 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179660 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/13. |
4511383.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 {}' |
4511383.cif |
| 119031 | 2014-07-05 | cif/ Updating files of 4511383, 4511384, 4511385 Original log message: Adding full bibliography for 4511383--4511385.cif. |
4511383.cif |
| 117792 | 2014-06-18 | cif/ Adding structures of 4511383, 4511384, 4511385 via cif-deposit CGI script. |
4511383.cif |
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