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Information card for entry 2234884
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| Coordinates | 2234884.cif |
|---|---|
| Structure factors | 2234884.hkl |
| Original IUCr paper | HTML |
| Chemical name | Trichloridotris{<i>N</i>-[phenyl(pyridin-2-yl)methylidene]hydroxylamine- κ^2^<i>N</i>,<i>N</i>'}neodymium(III) |
|---|---|
| Formula | C36 H30 Cl3 N6 Nd O3 |
| Calculated formula | C36 H30 Cl3 N6 Nd O3 |
| SMILES | [Nd]123(Cl)(Cl)(Cl)([N](O)=C(c4ccccc4)c4[n]1cccc4)([N](O)=C(c1ccccc1)c1[n]2cccc1)[n]1c(C(=[N]3O)c2ccccc2)cccc1 |
| Title of publication | Trichloridotris{<i>N</i>-[phenyl(pyridin-2-yl)methylidene]hydroxylamine-κ^2^<i>N</i>,<i>N</i>'}neodymium(III) |
| Authors of publication | Yang, Hua |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 5 |
| Pages of publication | m578 - m579 |
| a | 8.6367 ± 0.0017 Å |
| b | 10.46 ± 0.002 Å |
| c | 19.847 ± 0.004 Å |
| α | 91.87 ± 0.03° |
| β | 94.38 ± 0.03° |
| γ | 92.8 ± 0.03° |
| Cell volume | 1784.4 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0255 |
| Residual factor for significantly intense reflections | 0.0221 |
| Weighted residual factors for significantly intense reflections | 0.0554 |
| Weighted residual factors for all reflections included in the refinement | 0.0592 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181270 (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 2/23/48. |
2234884.cif 2234884.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. |
2234884.cif 2234884.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234884.cif 2234884.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. | 2234884.cif 2234884.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234884.cif 2234884.hkl |
| 60390 | 2012-06-14 | cif/ Adding structures of 2234884 via cif-deposit CGI script. |
2234884.cif |
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Users of the data should acknowledge the original authors of the
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