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Information card for entry 2233501
Preview
| Coordinates | 2233501.cif |
|---|---|
| Structure factors | 2233501.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[aqua[μ~3~-4-carboxy-2-(pyridin-4-yl)-1<i>H</i>-imidazole-5-carboxylato- κ^5^<i>N</i>^1^,<i>O</i>^5^:<i>N</i>^3^,<i>O</i>^4^:<i>N</i>^2^]nickel(II)] |
|---|---|
| Formula | C10 H7 N3 Ni O5 |
| Calculated formula | C10 H7 N3 Ni O5 |
| Title of publication | Poly[aqua[μ~3~-4-carboxy-2-(pyridin-4-yl)-1<i>H</i>-imidazole-5-carboxylato-κ^5^<i>N</i>^1^,<i>O</i>^5^:<i>N</i>^3^,<i>O</i>^4^:<i>N</i>^2^]nickel(II)] |
| Authors of publication | Jing, Xue-Min; Gong, Shu-zhe; Xiao, Li-Wei |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | m187 |
| a | 7.5117 ± 0.0015 Å |
| b | 11.4 ± 0.002 Å |
| c | 12.896 ± 0.004 Å |
| α | 90° |
| β | 109.04 ± 0.03° |
| γ | 90° |
| Cell volume | 1043.9 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0656 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.1116 |
| Weighted residual factors for all reflections included in the refinement | 0.1179 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181257 (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 2/23/35. |
2233501.cif 2233501.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2233501.cif 2233501.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233501.cif 2233501.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. | 2233501.cif 2233501.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233501.cif 2233501.hkl |
| 38297 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2233501 via cif-deposit CGI script. |
2233501.cif |
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Users of the data should acknowledge the original authors of the
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