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Information card for entry 2236020
Preview
| Coordinates | 2236020.cif |
|---|---|
| Structure factors | 2236020.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[aqua(μ-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>')[μ-5- (diphenylphosphinoyl)isophthalato- κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^]nickel(II)] |
|---|---|
| Formula | C32 H25 N2 Ni O6 P |
| Calculated formula | C32 H25 N2 Ni O6 P |
| Title of publication | Poly[aqua[μ-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'][μ-5-(diphenylphosphinoyl)isophthalato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^]nickel(II)] |
| Authors of publication | Zhang, Peng; Liu, Yu-Jie; Li, Kai-Hui; Yang, Guang-Rui; Mei, Chong-Zhen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 8 |
| Pages of publication | m1058 - m1059 |
| a | 10.1866 ± 0.0003 Å |
| b | 13.698 ± 0.0003 Å |
| c | 21.703 ± 0.0006 Å |
| α | 90° |
| β | 111.174 ± 0.002° |
| γ | 90° |
| Cell volume | 2823.9 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0818 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1026 |
| Weighted residual factors for all reflections included in the refinement | 0.1124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181282 (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 2/23/60. |
2236020.cif 2236020.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. |
2236020.cif 2236020.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236020.cif 2236020.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. | 2236020.cif 2236020.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2236020.cif 2236020.hkl |
| 66108 | 2012-09-06 | cif/ Adding structures of 2236020 via cif-deposit CGI script. |
2236020.cif |
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Users of the data should acknowledge the original authors of the
structural data.