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Information card for entry 7110375
Preview
| Coordinates | 7110375.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C70 H63 Cl9 N12 O4 Zn |
|---|---|
| Calculated formula | C70 H63 Cl9 N12 O4 Zn |
| Title of publication | New 1,4,7-triazacyclononane-based functional analogues of the Fe/Cu active site of cytochrome c oxidase: structure, spectroscopy and electrocatalytic reduction of oxygen |
| Authors of publication | Collman, James P.; Schwenninger, Reinhold; Rapta, Miroslav; Bröring, Martin; Fu, Lei |
| Journal of publication | Chemical Communications |
| Year of publication | 1999 |
| Journal issue | 2 |
| Pages of publication | 137 |
| a | 13.3435 ± 0.0008 Å |
| b | 13.5214 ± 0.0008 Å |
| c | 20.85 ± 0.001 Å |
| α | 103.096 ± 0.001° |
| β | 91.287 ± 0.001° |
| γ | 111.723 ± 0.001° |
| Cell volume | 3380.2 ± 0.3 Å3 |
| Cell temperature | 127.15 K |
| Ambient diffraction temperature | 127.15 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKa |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7110375.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7110375.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 {}' |
7110375.cif |
| 95025 | 2014-01-28 | cif/ Adding structures of 7110375 via cif-deposit CGI script. |
7110375.cif |
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Users of the data should acknowledge the original authors of the
structural data.