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Information card for entry 7024657
Preview
| Coordinates | 7024657.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H32 Co N5 O2 |
|---|---|
| Calculated formula | C51 H32 Co N5 O2 |
| Title of publication | Intermediate (S = 1) spin state in five-coordinate cobalt(III): magnetic properties of N-o-hydroxy-benzamido-meso-tetraphenylporphyrin cobalt(III), Co(N-NCO(o-O)C6H4-tpp). |
| Authors of publication | Cho, Cheng-Hsiung; Chien, Ting-Yuan; Chen, Jyh-Horung; Wang, Shin-Shin; Tung, Jo-Yu |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 10 |
| Pages of publication | 2609 - 2614 |
| a | 11.0697 ± 0.0003 Å |
| b | 13.3945 ± 0.0004 Å |
| c | 14.932 ± 0.0005 Å |
| α | 81.118 ± 0.003° |
| β | 84.516 ± 0.003° |
| γ | 83.579 ± 0.003° |
| Cell volume | 2166.82 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0997 |
| Residual factor for significantly intense reflections | 0.0795 |
| Weighted residual factors for significantly intense reflections | 0.2095 |
| Weighted residual factors for all reflections included in the refinement | 0.2187 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' 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 700 files were changed. |
7024657.cif |
| 179951 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/46. |
7024657.cif |
| 92613 | 2014-01-12 | cif/ Adding structures of 7024656, 7024657, 7024658 via cif-deposit CGI script. |
7024657.cif |
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Users of the data should acknowledge the original authors of the
structural data.