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Information card for entry 2228401
Preview
| Coordinates | 2228401.cif |
|---|---|
| Structure factors | 2228401.hkl |
| Original IUCr paper | HTML |
| Chemical name | (4,4'-Dimethyl-2,2'-bipyridine-κ^2^N,N')(dimethyl sulfoxide-κO) diiodidozinc(II) |
|---|---|
| Formula | C14 H18 I2 N2 O S Zn |
| Calculated formula | C14 H18 I2 N2 O S Zn |
| SMILES | c1cc(C)cc2c3cc(C)cc[n]3[Zn]([n]12)([O]=S(C)C)(I)I |
| Title of publication | (4,4'-Dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(dimethyl sulfoxide-κ<i>O</i>)diiodidozinc(II) |
| Authors of publication | Yousefi, Mohammad |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1594 - m1595 |
| a | 8.6173 ± 0.0007 Å |
| b | 15.5424 ± 0.0011 Å |
| c | 14.8976 ± 0.001 Å |
| α | 90° |
| β | 102.908 ± 0.006° |
| γ | 90° |
| Cell volume | 1944.9 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0902 |
| Residual factor for significantly intense reflections | 0.0758 |
| Weighted residual factors for significantly intense reflections | 0.1908 |
| Weighted residual factors for all reflections included in the refinement | 0.2017 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.197 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181205 (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 2/22/84. |
2228401.cif 2228401.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. |
2228401.cif 2228401.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228401.cif 2228401.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. | 2228401.cif 2228401.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228401.cif 2228401.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228401.cif 2228401.hkl |
| 5783 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228392, 2228393, 2228394, 2228395, 2228396, 2228397, 2228398, 2228399, 2228400, 2228401 via cif-deposit CGI script. |
2228401.cif |
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Users of the data should acknowledge the original authors of the
structural data.