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Information card for entry 2019787
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| Coordinates | 2019787.cif |
|---|---|
| Structure factors | 2019787.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{<i>N</i>'-[1-(pyrazin-2-yl-κ<i>N</i>^1^)ethylidene]nicotinohydrazidato-κ^2^<i>N</i>',<i>O</i>]manganese(II) |
|---|---|
| Formula | C24 H20 Mn N10 O2 |
| Calculated formula | C24 H20 Mn N10 O2 |
| SMILES | CC1=[N]2N=C(c3cccnc3)O[Mn]342([n]2ccncc12)[n]1ccncc1C(C)=[N]3N=C(c1cccnc1)O4 |
| Title of publication | Mononuclear and three-dimensional metal complexes based on a multidentate hydrazone ligand |
| Authors of publication | Liu, Yan-Fei; Liu, Ya-Ping; Zhang, Ke-Ke; Ren, Qing-Ling; Qin, Jie |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| a | 12.379 ± 0.0007 Å |
| b | 19.2445 ± 0.0013 Å |
| c | 9.8987 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2358.1 ± 0.3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 41 |
| Hermann-Mauguin space group symbol | A b a 2 |
| Hall space group symbol | A 2 -2ab |
| Residual factor for all reflections | 0.0713 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.0826 |
| Weighted residual factors for all reflections included in the refinement | 0.0925 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181867 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/97. |
2019787.cif 2019787.hkl |
| 180865 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/97. |
2019787.cif 2019787.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019787.cif 2019787.hkl |
| 129966 | 2015-01-18 | cif/ hkl/ Adding structures of 2019786, 2019787, 2019788 via cif-deposit CGI script. |
2019787.cif 2019787.hkl |
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Users of the data should acknowledge the original authors of the
structural data.