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Information card for entry 4309477
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| Coordinates | 4309477.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [Co(bpy)2(BACat)](BF4) |
|---|---|
| Formula | C27 H20 B2 Co F8 N5 O2 |
| Calculated formula | C27 H19.375 B Co F4 N4 O3.5 |
| Title of publication | Binuclear Complexes of Co(III) Containing Extended Conjugated Bis(Catecholate) Ligands |
| Authors of publication | Yusaku Suenaga; Cortlandt G. Pierpont |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 6183 - 6191 |
| a | 10.8083 ± 0.0007 Å |
| b | 16.3268 ± 0.0011 Å |
| c | 16.3863 ± 0.0011 Å |
| α | 62.82 ± 0.001° |
| β | 87.714 ± 0.002° |
| γ | 79.962 ± 0.002° |
| Cell volume | 2530.3 ± 0.3 Å3 |
| Cell temperature | 139 ± 2 K |
| Ambient diffraction temperature | 139 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2639 |
| Residual factor for significantly intense reflections | 0.0726 |
| Weighted residual factors for significantly intense reflections | 0.1828 |
| Weighted residual factors for all reflections included in the refinement | 0.2505 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.921 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179132 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/94. |
4309477.cif |
| 134573 | 2015-04-01 | cod/ (robertas@burundukas) The 'cif_fix_values' script was applied on the CIF files, which had notes in the COD database's table 'validations' generated by the 'cif_validate' validator about misspelling of the enumerable values of the data item '_symmetry_cell_setting'. There was used the option '--fix-only-misspelled'. And there were used 'cif_filter' later in the pipe. Read the log for more details. There were 595 distinct CIF files which had messages from validator. The 'cif_fix_values' script generated 417 messages about corrected misspelled values of enumerators to the log file. Some messages were generated by 'cif_filter' and some changes by the 'cif_filter' were done without messaging to the log file. The 'cif_fix_value' script corrected the enumerators of all data items presented in the file for the replacement of the misspelled values. |
4309477.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309477.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309477.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4309477.cif |
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Users of the data should acknowledge the original authors of the
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