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Information card for entry 7205239
Preview
| Coordinates | 7205239.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H38 N4 Ni2 O16 |
|---|---|
| Calculated formula | C36 H36 N4 Ni2 O16 |
| SMILES | c1cccc2c3cccc[n]3[Ni]([n]12)(OC(=O)c1ccc(C(=O)[O-])cc1c1cc(C(=O)[O-])ccc1C(=O)O[Ni]1([n]2ccccc2c2cccc[n]12)([OH2])([OH2])[OH2])([OH2])([OH2])[OH2].O.O |
| Title of publication | A series of complexes based on biphenyl-2,5,2′,5′-tetracarboxylic acid: syntheses, crystal structures, luminescent and magnetic properties |
| Authors of publication | Tian, Dan; Pang, Yu; Zhou, Yan-Hong; Guan, Li; Zhang, Hong |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 3 |
| Pages of publication | 957 |
| a | 14.223 ± 0.002 Å |
| b | 19.095 ± 0.003 Å |
| c | 15.143 ± 0.002 Å |
| α | 90° |
| β | 113.099 ± 0.002° |
| γ | 90° |
| Cell volume | 3782.9 ± 0.9 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 | 0.1141 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.0882 |
| Weighted residual factors for all reflections included in the refinement | 0.1014 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.919 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7205239.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205239.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205239.cif |
| 14582 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7205238, 7205239, 7205240, 7205241, 7205242 via cif-deposit CGI script. |
7205239.cif |
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