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Information card for entry 2228328
Preview
| Coordinates | 2228328.cif |
|---|---|
| Structure factors | 2228328.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[aqua(pyrazino[2,3-<i>f</i>][1,10]phenanthroline- κ^2^<i>N</i>^8^,<i>N</i>^9^)zinc(II)]-μ-pentanedioato] monohydrate] |
|---|---|
| Formula | C19 H18 N4 O6 Zn |
| Calculated formula | C19 H18 N4 O6 Zn |
| SMILES | [Zn]12([OH2])([n]3c4c(c5nccnc5c5c4[n]1ccc5)ccc3)(OC(=O)CCCC(=O)[O-])[O]=C(O2)CCCC(=O)O[Zn]1([OH2])[n]2c3c(c4nccnc4c4c3[n]1ccc4)ccc2.O.O |
| Title of publication | <i>catena</i>-Poly[[[aqua(pyrazino[2,3-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>^8^,<i>N</i>^9^)zinc(II)]-μ-pentanedioato] monohydrate] |
| Authors of publication | Fang, Wei |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1522 - m1523 |
| a | 6.397 ± 0.003 Å |
| b | 9.384 ± 0.005 Å |
| c | 16.409 ± 0.008 Å |
| α | 98.067 ± 0.005° |
| β | 100.859 ± 0.005° |
| γ | 101.274 ± 0.005° |
| Cell volume | 932.5 ± 0.8 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0515 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.0949 |
| Weighted residual factors for all reflections included in the refinement | 0.0998 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181204 (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 2/22/83. |
2228328.cif 2228328.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. |
2228328.cif 2228328.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228328.cif 2228328.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. | 2228328.cif 2228328.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228328.cif 2228328.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228328.cif 2228328.hkl |
| 5776 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228322, 2228323, 2228324, 2228325, 2228326, 2228327, 2228328, 2228329, 2228330, 2228331 via cif-deposit CGI script. |
2228328.cif |
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Users of the data should acknowledge the original authors of the
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