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Information card for entry 2240789
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| Coordinates | 2240789.cif |
|---|---|
| Structure factors | 2240789.hkl |
| Original IUCr paper | HTML |
| Chemical name | Aqua[(<i>E</i>)-<i>N</i>'-(5-bromo-2-oxidobenzylidene-κ<i>O</i>)benzohydrazidato-κ^2^<i>O</i>,<i>N</i>']dioxidomolybdenum(VI) dimethylformamide monosolvate |
|---|---|
| Formula | C17 H18 Br Mo N3 O6 |
| Calculated formula | C17 H18 Br Mo N3 O6 |
| SMILES | c12ccc(cc1C=[N]1N=C(c3ccccc3)O[Mo]1(O2)(=O)(=O)[OH2])Br.CN(C)C=O |
| Title of publication | Crystal structure of aqua[(<i>E</i>)-<i>N</i>'-(5-bromo-2-oxidobenzylidene-κ<i>O</i>)benzohydrazidato-κ^2^<i>O</i>,<i>N</i>']dioxidomolybdenum(VI) dimethylformamide monosolvate |
| Authors of publication | Sudheer, Radhika; Sithambaresan, M.; Sajitha, N. R.; Manoj, E.; Kurup, M. R. Prathapachandra |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | 702 - 705 |
| a | 10.8581 ± 0.0008 Å |
| b | 7.1145 ± 0.0005 Å |
| c | 25.998 ± 0.002 Å |
| α | 90° |
| β | 93.9 ± 0.003° |
| γ | 90° |
| Cell volume | 2003.7 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.067 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.0874 |
| Weighted residual factors for all reflections included in the refinement | 0.096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181907 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240789.cif 2240789.hkl |
| 137448 | 2015-05-28 | cif/ hkl/ Adding structures of 2240789 via cif-deposit CGI script. |
2240789.cif 2240789.hkl |
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