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Information card for entry 1544368
Preview
| Coordinates | 1544368.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | CoHO-TMPAClCl? CoTMPAClCl |
|---|---|
| Chemical name | CoBr-TMPACl2 |
| Formula | C18 H17 Br Cl2 Co N4 |
| Calculated formula | C18 H17 Br Cl2 Co N4 |
| SMILES | [Co]12(Cl)(Cl)[N](Cc3[n]1cccc3)(Cc1[n]2cccc1)Cc1nc(Br)ccc1 |
| Title of publication | A polypyridyl Co(ii) complex-based water reduction catalyst with double H2 evolution sites |
| Authors of publication | Wang, Junfei; Li, Chao; Zhou, Qianxiong; Wang, Weibo; Hou, Yuanjun; Zhang, Baowen; Wang, Xuesong |
| Journal of publication | Catal. Sci. Technol. |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 24 |
| Pages of publication | 8482 |
| a | 14.188 ± 0.007 Å |
| b | 6.883 ± 0.003 Å |
| c | 21.321 ± 0.011 Å |
| α | 90° |
| β | 107.131 ± 0.009° |
| γ | 90° |
| Cell volume | 1989.7 ± 1.7 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1142 |
| Residual factor for significantly intense reflections | 0.0832 |
| Weighted residual factors for significantly intense reflections | 0.2212 |
| Weighted residual factors for all reflections included in the refinement | 0.2487 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
1544368.cif |
| 190058 | 2017-01-09 | cif/ Updating files of 1544367, 1544368 Original log message: Adding full bibliography for 1544367--1544368.cif. |
1544368.cif |
| 187604 | 2016-10-27 | cif/ Adding structures of 1544367, 1544368 via cif-deposit CGI script. |
1544368.cif |
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