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Information card for entry 2238275
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| Coordinates | 2238275.cif |
|---|---|
| Structure factors | 2238275.hkl |
| Original IUCr paper | HTML |
| Chemical name | Chlorido{1-[(dimethylamino)methyl]ferrocenyl-κ^2^<i>C</i>^1^,<i>N</i>}(triphenylstibine-κ<i>Sb</i>)palladium(II) |
|---|---|
| Formula | C31 H31 Cl Fe N Pd Sb |
| Calculated formula | C31 H31 Cl Fe N Pd Sb |
| SMILES | [Sb]([Pd]1(Cl)[N](C[c]23[cH]4[Fe]56789%102([c]13[cH]6[cH]45)[cH]1[cH]%10[cH]9[cH]8[cH]71)(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Chlorido{1-[(dimethylamino)methyl]ferrocenyl-κ^2^<i>C</i>^2^,<i>N</i>}(triphenylstibine-κ<i>Sb</i>)palladium(II) |
| Authors of publication | Pérez, Diego; Sharma, Pankaj; Sharma, Manju; Hernández, Simón |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | m372 |
| a | 10.3138 ± 0.0006 Å |
| b | 19.8865 ± 0.0012 Å |
| c | 13.7584 ± 0.0009 Å |
| α | 90° |
| β | 92.984 ± 0.001° |
| γ | 90° |
| Cell volume | 2818.1 ± 0.3 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0434 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.0602 |
| Weighted residual factors for all reflections included in the refinement | 0.0625 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.934 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181304 (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 2/23/82. |
2238275.cif 2238275.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. |
2238275.cif 2238275.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2238275.cif 2238275.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238275.cif 2238275.hkl |
| 87536 | 2013-08-27 | cif/ Adding structures of 2238275 via cif-deposit CGI script. |
2238275.cif |
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Users of the data should acknowledge the original authors of the
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