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Information card for entry 2228504
Preview
| Coordinates | 2228504.cif |
|---|---|
| Structure factors | 2228504.hkl |
| Original IUCr paper | HTML |
| Common name | Hexaaquazinc(II)bis[tris(5-carboxypyridine-6-carboxylato)zincate(II)] |
|---|---|
| Chemical name | Hexaaquazinc(II) bis[tris(3-carboxypyridine-2-carboxylato)zincate(II)] |
| Formula | C42 H36 N6 O30 Zn3 |
| Calculated formula | C42 H36 N6 O30 Zn3 |
| SMILES | c12c(ccc[n]2[Zn]23(OC1=O)([n]1c(c(ccc1)C(=O)O)C(=O)O2)[n]1c(c(ccc1)C(=O)O)C(=O)O3)C(=O)O.[OH2][Zn]([OH2])([OH2])([OH2])([OH2])[OH2].c12c(ccc[n]2[Zn]23([n]4c(c(ccc4)C(=O)O)C(=O)O2)([n]2c(c(ccc2)C(=O)O)C(=O)O3)OC1=O)C(=O)O |
| Title of publication | Hexaaquazinc(II) bis[tris(3-carboxypyridine-2-carboxylato)zincate(II)] |
| Authors of publication | Gharagozlou, Mehrnaz; Langer, Vratislav; Nemati, Andya |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1606 - m1607 |
| a | 14.47 ± 0.004 Å |
| b | 14.47 ± 0.004 Å |
| c | 6.284 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1139.5 ± 0.6 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 147 |
| Hermann-Mauguin space group symbol | P -3 |
| Hall space group symbol | -P 3 |
| Residual factor for all reflections | 0.092 |
| Residual factor for significantly intense reflections | 0.0609 |
| Weighted residual factors for significantly intense reflections | 0.1423 |
| Weighted residual factors for all reflections included in the refinement | 0.158 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| 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. |
2228504.cif 2228504.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. |
2228504.cif 2228504.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228504.cif 2228504.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. | 2228504.cif 2228504.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228504.cif 2228504.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228504.cif 2228504.hkl |
| 5794 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228502, 2228503, 2228504, 2228505, 2228506, 2228507, 2228508, 2228509, 2228510, 2228511 via cif-deposit CGI script. |
2228504.cif |
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Users of the data should acknowledge the original authors of the
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