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Information card for entry 2230448
Preview
| Coordinates | 2230448.cif |
|---|---|
| Structure factors | 2230448.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-Bis{1-[2-(2,6-diisopropylanilino)phenyl]-3- isopropylimidazolin-2-ylidenyl-κ<i>C</i>^2^}diiodidopalladium(II) benzene disolvate |
|---|---|
| Formula | C60 H74 I2 N6 Pd |
| Calculated formula | C60 H74 I2 N6 Pd |
| SMILES | I[Pd](=C1N(C=CN1C(C)C)c1ccccc1Nc1c(cccc1C(C)C)C(C)C)(=C1N(C=CN1C(C)C)c1ccccc1Nc1c(cccc1C(C)C)C(C)C)I.c1ccccc1.c1ccccc1 |
| Title of publication | <i>trans</i>-Bis{1-[2-(2,6-diisopropylanilino)phenyl]-3-isopropylimidazolin-2-ylidenyl-κ<i>C</i>^2^}diiodidopalladium(II) benzene disolvate |
| Authors of publication | Daly, Christopher G.; Singh, Kuldip; Cross, Warren B. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | m668 |
| a | 8.998 ± 0.004 Å |
| b | 12 ± 0.005 Å |
| c | 13.839 ± 0.006 Å |
| α | 81.572 ± 0.008° |
| β | 78.819 ± 0.009° |
| γ | 76.411 ± 0.008° |
| Cell volume | 1416.9 ± 1.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1086 |
| Residual factor for significantly intense reflections | 0.0631 |
| Weighted residual factors for significantly intense reflections | 0.1126 |
| Weighted residual factors for all reflections included in the refinement | 0.1277 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.875 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181226 (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 2/23/04. |
2230448.cif 2230448.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. |
2230448.cif 2230448.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230448.cif 2230448.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. | 2230448.cif 2230448.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230448.cif 2230448.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230448.cif 2230448.hkl |
| 22435 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230448 via cif-deposit CGI script. |
2230448.cif |
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