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Information card for entry 2228537
Preview
| Coordinates | 2228537.cif |
|---|---|
| Structure factors | 2228537.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[aquatris(pyridine-κ<i>N</i>)nickel(II)]- μ-2,3,5,6-tetrachlorobenzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] pyridine monosolvate] |
|---|---|
| Formula | C56 H44 Cl8 N8 Ni2 O10 |
| Calculated formula | C56 H44 Cl8 N8 Ni2 O10 |
| SMILES | [Ni](OC(=O)c1c(Cl)c(Cl)c(c(Cl)c1Cl)C(=O)[O-])(OC(=O)c1c(Cl)c(Cl)c(c(Cl)c1Cl)C(=O)O[Ni]([OH2])([n]1ccccc1)([n]1ccccc1)[n]1ccccc1)([OH2])([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.n1ccccc1.n1ccccc1 |
| Title of publication | <i>catena</i>-Poly[[[aquatris(pyridine-κ<i>N</i>)nickel(II)]-μ-2,3,5,6-tetrachlorobenzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] pyridine monosolvate] |
| Authors of publication | Zheng, Chang-Ge; Zhang, Pei-Pei; Zhang, Peng; Li, Song |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1618 |
| a | 8.6148 ± 0.0006 Å |
| b | 17.6879 ± 0.001 Å |
| c | 21.0617 ± 0.001 Å |
| α | 68.279 ± 0.005° |
| β | 79.75 ± 0.006° |
| γ | 84.853 ± 0.006° |
| Cell volume | 2932.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1183 |
| Residual factor for significantly intense reflections | 0.0755 |
| Weighted residual factors for significantly intense reflections | 0.1318 |
| Weighted residual factors for all reflections included in the refinement | 0.1512 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181206 (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 2/22/85. |
2228537.cif 2228537.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. |
2228537.cif 2228537.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228537.cif 2228537.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. | 2228537.cif 2228537.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228537.cif 2228537.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228537.cif 2228537.hkl |
| 5797 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228532, 2228533, 2228534, 2228535, 2228536, 2228537, 2228538, 2228539, 2228540, 2228541 via cif-deposit CGI script. |
2228537.cif |
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Users of the data should acknowledge the original authors of the
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