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Information card for entry 2228030
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| Coordinates | 2228030.cif |
|---|---|
| Structure factors | 2228030.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dioxidobis{2-[(<i>E</i>)-<i>p</i>-tolyliminomethyl]phenolato}molybdenum(VI) |
|---|---|
| Formula | C28 H24 Mo N2 O4 |
| Calculated formula | C28 H24 Mo N2 O4 |
| SMILES | [N]1([Mo]2([N](=Cc3c(cccc3)O2)c2ccc(cc2)C)(Oc2ccccc2C=1)(=O)=O)c1ccc(cc1)C |
| Title of publication | Dioxidobis{2-[(<i>E</i>)-<i>p</i>-tolyliminomethyl]phenolato}molybdenum(VI) |
| Authors of publication | Hatefi, Mehdi; Sheikhshoaie, Iran; Mirkhani, Valiollah; Moghadam, Majid; Kia, Reza |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | m1137 |
| a | 26.375 ± 0.008 Å |
| b | 6.8095 ± 0.0008 Å |
| c | 15.648 ± 0.01 Å |
| α | 90° |
| β | 116.94 ± 0.02° |
| γ | 90° |
| Cell volume | 2505.4 ± 1.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.2205 |
| Residual factor for significantly intense reflections | 0.0785 |
| Weighted residual factors for significantly intense reflections | 0.1319 |
| Weighted residual factors for all reflections included in the refinement | 0.1684 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.828 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181201 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/80. |
2228030.cif 2228030.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228030.cif 2228030.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2228030.cif 2228030.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228030.cif 2228030.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2228030.cif 2228030.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228030.cif 2228030.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2228030.cif 2228030.hkl |
| 5067 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2228030 via cif-deposit CGI script. |
2228030.cif |
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Users of the data should acknowledge the original authors of the
structural data.