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Information card for entry 2228248
Preview
| Coordinates | 2228248.cif |
|---|---|
| Structure factors | 2228248.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-Chlorido{3-chloro-2-[(1- naphthyl)iminomethyl]phenyl- κ^2^<i>C</i>^1^,<i>N</i>}bis(trimethylphosphane)nickel(II) |
|---|---|
| Formula | C23 H29 Cl2 N Ni P2 |
| Calculated formula | C23 H29 Cl2 N Ni P2 |
| SMILES | [Ni]1([P](C)(C)C)(Cl)([P](C)(C)C)c2c(c(Cl)ccc2)C=[N]1c1c2c(cccc2)ccc1 |
| Title of publication | <i>trans</i>-Chlorido{3-chloro-2-[(1-naphthyl)iminomethyl]phenyl-κ^2^<i>C</i>^1^,<i>N</i>}bis(trimethylphosphane)nickel(II) |
| Authors of publication | Cao, Ruixia; Sun, Hongjian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1589 |
| a | 9.0529 ± 0.0019 Å |
| b | 15.855 ± 0.003 Å |
| c | 17.869 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2564.8 ± 0.9 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0444 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.1091 |
| Weighted residual factors for all reflections included in the refinement | 0.1241 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181203 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/82. |
2228248.cif 2228248.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228248.cif 2228248.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228248.cif 2228248.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. | 2228248.cif 2228248.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228248.cif 2228248.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228248.cif 2228248.hkl |
| 5767 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228242, 2228243, 2228244, 2228245, 2228246, 2228247, 2228248, 2228249, 2228250, 2228251 via cif-deposit CGI script. |
2228248.cif |
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Users of the data should acknowledge the original authors of the
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