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Information card for entry 2231716
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| Coordinates | 2231716.cif |
|---|---|
| Structure factors | 2231716.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-Chlorido(phenanthren-9-yl)bis(triphenylphosphane)nickel(II) |
|---|---|
| Formula | C50 H39 Cl Ni P2 |
| Calculated formula | C50 H39 Cl Ni P2 |
| SMILES | [Ni](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc2ccccc2c2ccccc12 |
| Title of publication | <i>trans</i>-Chlorido(phenanthren-9-yl)bis(triphenylphosphane)nickel(II) |
| Authors of publication | Lei, Xiangyang; Obregon, Karla A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | m1272 |
| a | 11.09 ± 0.005 Å |
| b | 15.204 ± 0.007 Å |
| c | 23.679 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3993 ± 3 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0263 |
| Residual factor for significantly intense reflections | 0.0235 |
| Weighted residual factors for significantly intense reflections | 0.0554 |
| Weighted residual factors for all reflections included in the refinement | 0.0566 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181239 (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 2/23/17. |
2231716.cif 2231716.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. |
2231716.cif 2231716.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231716.cif 2231716.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. | 2231716.cif 2231716.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231716.cif 2231716.hkl |
| 27855 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231716 via cif-deposit CGI script. |
2231716.cif |
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Users of the data should acknowledge the original authors of the
structural data.