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Information card for entry 7015706
Preview
| Coordinates | 7015706.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H17 Mn N4 O5 |
|---|---|
| Calculated formula | C16 H17 Mn N4 O5 |
| SMILES | C1(=O)C2(C)n3c(cc(C)[n]3[Mn](C#[O])(C#[O])(C#[O])([n]3c(C)cc(C)n23)O1)C |
| Title of publication | Transition metal complexes bearing a 2,2-bis(3,5-dimethylpyrazol-1-yl)propionate ligand: one methyl more matters. |
| Authors of publication | Türkoglu, Gazi; Heinemann, Frank W.; Burzlaff, Nicolai |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 17 |
| Pages of publication | 4678 - 4686 |
| a | 8.2964 ± 0.0006 Å |
| b | 9.653 ± 0.0003 Å |
| c | 11.393 Å |
| α | 105.882 ± 0.004° |
| β | 99.171 ± 0.006° |
| γ | 104.865 ± 0.003° |
| Cell volume | 821.94 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0596 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0645 |
| Weighted residual factors for all reflections included in the refinement | 0.0699 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179861 (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 7/01/57. |
7015706.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015706.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015706.cif |
| 21326 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7015706, 7015707, 7015708, 7015709, 7015710 via cif-deposit CGI script. |
7015706.cif |
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Users of the data should acknowledge the original authors of the
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