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Information card for entry 7115019
Preview
| Coordinates | 7115019.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C91 H62 Cu2 N8 |
|---|---|
| Calculated formula | C91 H62 Cu2 N8 |
| Title of publication | Directly linked dehydropurpurin‒porphyrin dyads from Ag(i)-promoted oxidation of meso-phenylethynyl substituted zinc(ii) porphyrins |
| Authors of publication | Nakano, Aiko; Aratani, Naoki; Furuta, Hiroyuki; Osuka, Atsuhiro |
| Journal of publication | Chemical Communications |
| Year of publication | 2001 |
| Journal issue | 19 |
| Pages of publication | 1920 |
| a | 13.204 ± 0.001 Å |
| b | 24.665 ± 0.001 Å |
| c | 11.0879 ± 0.0009 Å |
| α | 99.737 ± 0.002° |
| β | 106.21 ± 0.003° |
| γ | 83.472 ± 0.005° |
| Cell volume | 3409.1 ± 0.4 Å3 |
| Cell temperature | 296.2 K |
| Ambient diffraction temperature | 296.2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0596 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for all reflections | 0.066 |
| Weighted residual factors for all reflections included in the refinement | 0.066 |
| Goodness-of-fit parameter for all reflections | 0.488 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.49 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7115019.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 {}' |
7115019.cif |
| 118483 | 2014-06-30 | cif/ Adding structures of 7115019 via cif-deposit CGI script. |
7115019.cif |
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Users of the data should acknowledge the original authors of the
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