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Information card for entry 4508594
Preview
| Coordinates | 4508594.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H37 F6 N5 Ni O8 |
|---|---|
| Calculated formula | C31 H31 F6 N5 Ni O8 |
| Title of publication | Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties |
| Authors of publication | Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2013 |
| Journal volume | 13 |
| Journal issue | 12 |
| Pages of publication | 5487 |
| a | 13.6393 ± 0.0003 Å |
| b | 12.9385 ± 0.0003 Å |
| c | 20.2697 ± 0.0005 Å |
| α | 90° |
| β | 92.442 ± 0.001° |
| γ | 90° |
| Cell volume | 3573.79 ± 0.14 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1297 |
| Residual factor for significantly intense reflections | 0.0722 |
| Weighted residual factors for significantly intense reflections | 0.1908 |
| Weighted residual factors for all reflections included in the refinement | 0.2215 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179621 (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 4/50/85. |
4508594.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 {}' |
4508594.cif |
| 91629 | 2013-12-13 | cif/ Adding structures of 4508594 via cif-deposit CGI script. |
4508594.cif |
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Users of the data should acknowledge the original authors of the
structural data.