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Information card for entry 7024437
Preview
| Coordinates | 7024437.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H68 Br2 Co N4 S2 |
|---|---|
| Calculated formula | C62 H68 Br2 Co N4 S2 |
| Title of publication | Molecular tectonics: formation and structural studies on a 2-D directional coordination network based on a non-centric metacyclophane based tecton and zinc cation. |
| Authors of publication | Ehrhart, Jérôme; Planeix, Jean-Marc; Kyritsakas-Gruber, Nathalie; Hosseini, Mir Wais |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 8 |
| Pages of publication | 2137 - 2146 |
| a | 16.0135 ± 0.0018 Å |
| b | 14.0197 ± 0.0013 Å |
| c | 32.858 ± 0.004 Å |
| α | 90° |
| β | 92.339 ± 0.003° |
| γ | 90° |
| Cell volume | 7370.6 ± 1.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.1446 |
| Residual factor for significantly intense reflections | 0.097 |
| Weighted residual factors for significantly intense reflections | 0.2566 |
| Weighted residual factors for all reflections included in the refinement | 0.2766 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179949 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/44. |
7024437.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 {}' |
7024437.cif |
| 92492 | 2014-01-12 | cif/ Adding structures of 7024437, 7024438, 7024439, 7024440, 7024441, 7024442, 7024443, 7024444, 7024445, 7024446, 7024447, 7024448 via cif-deposit CGI script. |
7024437.cif |
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Users of the data should acknowledge the original authors of the
structural data.