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Information card for entry 2229308
Preview
| Coordinates | 2229308.cif |
|---|---|
| Structure factors | 2229308.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[1-benzyl-3-(quinolin-8-ylmethyl)-2,3-dihydro-1<i>H</i>-imidazol-2- yl]dibromidopalladium(II) acetonitrile disolvate |
|---|---|
| Formula | C44 H40 Br2 N8 Pd |
| Calculated formula | C44 H40 Br2 N8 Pd |
| SMILES | C(c1ccccc1)N1C(N(C=C1)Cc1cccc2cccnc12)=[Pd](Br)(=C1N(C=CN1Cc1cccc2cccnc12)Cc1ccccc1)Br.N#CC.N#CC |
| Title of publication | Bis[1-benzyl-3-(quinolin-8-ylmethyl)-2,3-dihydro-1<i>H</i>-imidazol-2-yl]dibromidopalladium(II) acetonitrile disolvate |
| Authors of publication | Sun, Jiafeng; Wang, Guixiang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | m165 |
| a | 8.179 ± 0.003 Å |
| b | 10.769 ± 0.004 Å |
| c | 11.928 ± 0.004 Å |
| α | 101.506 ± 0.005° |
| β | 90.842 ± 0.005° |
| γ | 107.944 ± 0.004° |
| Cell volume | 976.2 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0865 |
| Residual factor for significantly intense reflections | 0.0604 |
| Weighted residual factors for significantly intense reflections | 0.1511 |
| Weighted residual factors for all reflections included in the refinement | 0.1724 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181214 (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 2/22/93. |
2229308.cif 2229308.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. |
2229308.cif 2229308.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229308.cif 2229308.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. | 2229308.cif 2229308.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229308.cif 2229308.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2229308.cif 2229308.hkl |
| 12401 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 2229308 via cif-deposit CGI script. |
2229308.cif |
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Users of the data should acknowledge the original authors of the
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