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Information card for entry 2232295
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| Coordinates | 2232295.cif |
|---|---|
| Structure factors | 2232295.hkl |
| Original IUCr paper | HTML |
| Chemical name | [<i>N</i>,<i>N</i>-Bis(diphenylphosphanyl)propanamine- κ^2^<i>P</i>,<i>P</i>']dichloridonickel(II) |
|---|---|
| Formula | C27 H27 Cl2 N Ni P2 |
| Calculated formula | C27 H27 Cl2 N Ni P2 |
| SMILES | [Ni]1(Cl)(Cl)[P](N([P]1(c1ccccc1)c1ccccc1)CCC)(c1ccccc1)c1ccccc1 |
| Title of publication | [<i>N</i>,<i>N</i>-Bis(diphenylphosphanyl)propanamine-κ^2^<i>P</i>,<i>P</i>']dichloridonickel(II) |
| Authors of publication | Yin, Bang-Shao; Li, Tian-Bao; Yang, Ming-Sheng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1572 |
| a | 10.21 ± 0.004 Å |
| b | 19.308 ± 0.007 Å |
| c | 15.538 ± 0.004 Å |
| α | 90° |
| β | 122.669 ± 0.018° |
| γ | 90° |
| Cell volume | 2578.5 ± 1.6 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 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 | 0.0814 |
| Residual factor for significantly intense reflections | 0.0684 |
| Weighted residual factors for significantly intense reflections | 0.1667 |
| Weighted residual factors for all reflections included in the refinement | 0.1749 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.15 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181244 (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 2/23/22. |
2232295.cif 2232295.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. |
2232295.cif 2232295.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232295.cif 2232295.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. | 2232295.cif 2232295.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232295.cif 2232295.hkl |
| 30950 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232295 via cif-deposit CGI script. |
2232295.cif |
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Users of the data should acknowledge the original authors of the
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