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Information card for entry 2232595
Preview
| Coordinates | 2232595.cif |
|---|---|
| Structure factors | 2232595.hkl |
| Original IUCr paper | HTML |
| Chemical name | Aqua(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(nitrato- κ<i>O</i>)(nitrato-κ^2^<i>O</i>,<i>O</i>')zinc |
|---|---|
| Formula | C12 H14 N4 O7 Zn |
| Calculated formula | C12 H14 N4 O7 Zn |
| SMILES | c1cc(C)cc2c3cc(C)cc[n]3[Zn]3([n]12)(ON(=[O]3)=O)(ON(=O)=O)[OH2] |
| Title of publication | Aqua(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(nitrato-κ<i>O</i>)(nitrato-κ^2^<i>O</i>,<i>O</i>')zinc |
| Authors of publication | Shirvan, Sadif A.; Haydari Dezfuli, Sara |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1866 - m1867 |
| a | 10.9266 ± 0.0005 Å |
| b | 8.5717 ± 0.0003 Å |
| c | 16.8073 ± 0.0007 Å |
| α | 90° |
| β | 97.873 ± 0.004° |
| γ | 90° |
| Cell volume | 1559.33 ± 0.11 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0475 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for all reflections included in the refinement | 0.0843 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181247 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/25. |
2232595.cif 2232595.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. |
2232595.cif 2232595.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232595.cif 2232595.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. | 2232595.cif 2232595.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232595.cif 2232595.hkl |
| 31468 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232595 via cif-deposit CGI script. |
2232595.cif |
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Users of the data should acknowledge the original authors of the
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