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Information card for entry 7113536
Preview
| Coordinates | 7113536.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H33 N6 Ni3 O18 |
|---|---|
| Calculated formula | C49 H33 N6 Ni3 O18 |
| Title of publication | Designed layer assembly: a three-dimensional framework with 74% extra-framework volume by connection of infinite two-dimensional sheets |
| Authors of publication | Prior, T. J.; Bradshaw, D.; Teat, S. J.; Rosseinsky, M. J. |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 4 |
| Pages of publication | 500 - 501 |
| a | 33.5211 ± 0.001 Å |
| b | 33.5211 ± 0.001 Å |
| c | 11.3015 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 10997.7 ± 0.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 143 |
| Hermann-Mauguin space group symbol | P 3 |
| Hall space group symbol | P 3 |
| Residual factor for all reflections | 0.1608 |
| Residual factor for significantly intense reflections | 0.1469 |
| Weighted residual factors for significantly intense reflections | 0.3414 |
| Weighted residual factors for all reflections included in the refinement | 0.3591 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.328 |
| Diffraction radiation wavelength | 0.6867 Å |
| Diffraction radiation type | Synchrotron |
| Duplicate of | 7103978 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210650 (current) | 2018-09-09 | cif/7/ Updating bibliography in entries 7103978, 7113536. Marking entry 7113536 as a duplicate of entry 7103978. |
7113536.cif |
| 180249 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/35. |
7113536.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 {}' |
7113536.cif |
| 115117 | 2014-06-02 | cif/ Adding structures of 7113536 via cif-deposit CGI script. |
7113536.cif |
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Users of the data should acknowledge the original authors of the
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