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Information card for entry 7019474
Preview
| Coordinates | 7019474.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H27 Br2 Mn N3 O4 P2 S4 |
|---|---|
| Calculated formula | C20 H27 Br2 Mn N3 O4 P2 S4 |
| SMILES | [Mn]123([S]=P(S1)(OCC)OCC)([S]=P(S2)(OCC)OCC)[n]1cc(Br)ccc1c1[n]3cc2n1cc(Br)cc2 |
| Title of publication | Complexes with 3-(pyridin-2-yl)imidazo[1,5-a]pyridine ligands by spontaneous dimerization of pyridine-2-carboxaldehyde within the coordination sphere of manganese(ii) in a one-pot reaction. |
| Authors of publication | Alvarez, Celedonio M.; Alvarez-Miguel, Lucía; García-Rodríguez, Raúl; Miguel, Daniel |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 23 |
| Pages of publication | 7041 - 7046 |
| a | 11.4966 ± 0.0015 Å |
| b | 12.8094 ± 0.0016 Å |
| c | 13.1346 ± 0.0017 Å |
| α | 98.074 ± 0.011° |
| β | 110.662 ± 0.013° |
| γ | 115.699 ± 0.012° |
| Cell volume | 1528.8 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0756 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.0978 |
| Weighted residual factors for all reflections included in the refinement | 0.1163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179898 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/94. |
7019474.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019474.cif |
| 62880 | 2012-07-09 | cif/ Adding structures of 7019472, 7019473, 7019474, 7019475, 7019476 via cif-deposit CGI script. |
7019474.cif |
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Users of the data should acknowledge the original authors of the
structural data.