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Information card for entry 7220138
Preview
| Coordinates | 7220138.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42.5 H29 Cl Co Fe N14 O S4 |
|---|---|
| Calculated formula | C42.5 H29 Cl Co Fe N14 O S4 |
| Title of publication | Assembling mono-, di- and tri-nuclear coordination complexes with a ditopic analogue of 2,2':6',2''-terpyridine: syntheses, structures and catalytic studies |
| Authors of publication | Zhang, Guoqi; yin, zhiwei; Zheng, Shengping; Phoenix, Tonya; Fettinger, James C. |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 10.0795 ± 0.0011 Å |
| b | 11.8223 ± 0.0014 Å |
| c | 20.571 ± 0.002 Å |
| α | 88.41 ± 0.004° |
| β | 79.325 ± 0.003° |
| γ | 66.086 ± 0.003° |
| Cell volume | 2199 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0667 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.1055 |
| Weighted residual factors for all reflections included in the refinement | 0.1173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7220138.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7220138.cif |
| 135730 | 2015-05-08 | cif/ Adding structures of 7220134, 7220135, 7220136, 7220137, 7220138, 7220139 via cif-deposit CGI script. |
7220138.cif |
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Users of the data should acknowledge the original authors of the
structural data.