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Information card for entry 2228667
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| Coordinates | 2228667.cif |
|---|---|
| Structure factors | 2228667.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dibromidobis(pyridine-3-carbonitrile-κ<i>N</i>^1^)zinc(II) |
|---|---|
| Formula | C12 H8 Br2 N4 Zn |
| Calculated formula | C12 H8 Br2 N4 Zn |
| SMILES | c1c(C#N)ccc[n]1[Zn]([n]1cc(C#N)ccc1)(Br)Br |
| Title of publication | Dibromidobis(pyridine-3-carbonitrile-κ<i>N</i>^1^)zinc(II) |
| Authors of publication | Ghiasi, Reza |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 1 |
| Pages of publication | m101 |
| a | 8.56 ± 0.0004 Å |
| b | 14.5379 ± 0.0005 Å |
| c | 23.3751 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2908.9 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0593 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for all reflections included in the refinement | 0.07 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.973 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181207 (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 2/22/86. |
2228667.cif 2228667.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. |
2228667.cif 2228667.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228667.cif 2228667.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. | 2228667.cif 2228667.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228667.cif 2228667.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228667.cif 2228667.hkl |
| 9799 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 2228667 via cif-deposit CGI script. |
2228667.cif |
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Users of the data should acknowledge the original authors of the
structural data.