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Information card for entry 4309478
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| Coordinates | 4309478.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3,3*,4,4*-tetrahydroxy-5,5*-dimethoxybenzaldazine (H4thM) |
|---|---|
| Formula | C16 H20 N2 O8 |
| Calculated formula | C16 H20 N2 O8 |
| SMILES | COc1c(O)c(cc(/C=N/N=C/c2cc(c(c(c2)OC)O)O)c1)O.O.O |
| 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 | 4.9024 ± 0.0006 Å |
| b | 8.7363 ± 0.0012 Å |
| c | 10.5235 ± 0.0015 Å |
| α | 104.66 ± 0.003° |
| β | 103.047 ± 0.004° |
| γ | 100.868 ± 0.005° |
| Cell volume | 410.09 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1102 |
| Residual factor for significantly intense reflections | 0.0669 |
| Weighted residual factors for significantly intense reflections | 0.1664 |
| Weighted residual factors for all reflections included in the refinement | 0.1933 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
| 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. |
4309478.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. |
4309478.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309478.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309478.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). |
4309478.cif |
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