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Information card for entry 7113496
Preview
| Coordinates | 7113496.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H100 Cu2 N4 O5.5 |
|---|---|
| Calculated formula | C74 H100 Cu2 N4 O5.5 |
| Title of publication | A unique series of dinuclear transition metal‒polyradical complexes with a m-phenylenediamine spacer and their catalytic reactivity |
| Authors of publication | Mukherjee, Soumen; Rentschler, Eva; Weyhermüller, Thomas; Wieghardt, Karl; Chaudhuri, Phalguni |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 15 |
| Pages of publication | 1828 - 1829 |
| a | 15.2345 ± 0.0012 Å |
| b | 18.903 ± 0.002 Å |
| c | 24.84 ± 0.003 Å |
| α | 90° |
| β | 90.51 ± 0.02° |
| γ | 90° |
| Cell volume | 7153.1 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0755 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for all reflections | 0.1307 |
| Weighted residual factors for significantly intense reflections | 0.1196 |
| Goodness-of-fit parameter for all reflections | 1.033 |
| Goodness-of-fit parameter for significantly intense reflections | 1.136 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7103793 |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210395 (current) | 2018-09-04 | cif/7/ Updating bibliography in entries 7103790-7103793, 7113493-7113496. Marking entries 7113493-7113496 as duplicates of entries 7103790-7103793. |
7113496.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. |
7113496.cif |
| 134621 | 2015-04-02 | The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script. |
7113496.cif |
| 115090 | 2014-06-02 | cif/ Adding structures of 7113493, 7113494, 7113495, 7113496 via cif-deposit CGI script. |
7113496.cif |
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Users of the data should acknowledge the original authors of the
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