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Information card for entry 2228246
Preview
| Coordinates | 2228246.cif |
|---|---|
| Structure factors | 2228246.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')[2-<i>tert</i>- butylanilinato(2-)]dichloridooxidomolybdenum(VI) dichloromethane hemisolvate |
|---|---|
| Formula | C20.5 H22 Cl3 Mo N3 O |
| Calculated formula | C20.5 H22 Cl3 Mo N3 O |
| Title of publication | (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')[2-<i>tert</i>-butylanilinato(2{-})]dichloridooxidomolybdenum(VI) dichloromethane hemisolvate |
| Authors of publication | Nielson, Alastair J.; Waters, Joyce M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1659 - m1660 |
| a | 17.4207 ± 0.0002 Å |
| b | 14.9657 ± 0.0001 Å |
| c | 16.5237 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4307.94 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0648 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.0933 |
| Weighted residual factors for all reflections included in the refinement | 0.1024 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181203 (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 2/22/82. |
2228246.cif 2228246.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2228246.cif 2228246.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228246.cif 2228246.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. | 2228246.cif 2228246.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228246.cif 2228246.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228246.cif 2228246.hkl |
| 5767 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228242, 2228243, 2228244, 2228245, 2228246, 2228247, 2228248, 2228249, 2228250, 2228251 via cif-deposit CGI script. |
2228246.cif |
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