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Information card for entry 2240416
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| Coordinates | 2240416.cif |
|---|---|
| Structure factors | 2240416.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Aquadioxido(2-{[(2-oxidoethyl)imino]methyl}phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')molybdenum(VI) |
|---|---|
| Formula | C9 H11 Mo N O5 |
| Calculated formula | C9 H11 Mo N O5 |
| SMILES | C1C[N]2=Cc3ccccc3O[Mo]2(O1)([OH2])(=O)=O |
| Title of publication | Crystal structure of aquadioxido(2-{[(2-oxidoethyl)imino]methyl}phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')molybdenum(VI) |
| Authors of publication | Parimala, Sowmianarayanan; Selvam, Parasuraman |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | m35 - m36 |
| a | 14.971 ± 0.0003 Å |
| b | 6.7026 ± 0.0001 Å |
| c | 10.8673 ± 0.0002 Å |
| α | 90° |
| β | 99.486 ± 0.001° |
| γ | 90° |
| Cell volume | 1075.56 ± 0.03 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0177 |
| Residual factor for significantly intense reflections | 0.0162 |
| Weighted residual factors for significantly intense reflections | 0.0412 |
| Weighted residual factors for all reflections included in the refinement | 0.0422 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181904 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240416.cif 2240416.hkl |
| 181324 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/04. |
2240416.cif 2240416.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240416.cif 2240416.hkl |
| 130103 | 2015-01-25 | cif/ hkl/ Adding structures of 2240416 via cif-deposit CGI script. |
2240416.cif 2240416.hkl |
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Users of the data should acknowledge the original authors of the
structural data.