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Information card for entry 8101820
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| Coordinates | 8101820.cif |
|---|
| Chemical name | dichloro[1,3-bis(5-methyl-3-phenylpyrazol-1-yl)propan-2-ol]palladium(II) |
|---|---|
| Formula | C23 H24 Cl2 N4 O Pd |
| Calculated formula | C23 H24 Cl2 N4 O Pd |
| SMILES | [Pd]1([n]2c(cc(C)n2CC(Cn2c(C)cc(c3ccccc3)[n]12)O)c1ccccc1)(Cl)Cl |
| Title of publication | Crystal structure of dichloro[1,3-bis(5-methyl-3-phenylpyrazol-1-yl) propan-2-ol]palladium(II), Pd[(C~10~H~9~N~2~)~2~C~3~H~5~OH]Cl~2~ |
| Authors of publication | G.-F. Zhang; Y.-L. Dou; X.-Z. Fan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2005 |
| Journal volume | 220 |
| Journal issue | 3 |
| Pages of publication | 451 - 452 |
| a | 8.8868 ± 0.0018 Å |
| b | 16.192 ± 0.003 Å |
| c | 16.228 ± 0.003 Å |
| α | 90° |
| β | 97.08 ± 0.03° |
| γ | 90° |
| Cell volume | 2317.3 ± 0.8 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0422 |
| Residual factor for significantly intense reflections | 0.0289 |
| Weighted residual factors for significantly intense reflections | 0.0742 |
| Weighted residual factors for all reflections included in the refinement | 0.0776 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
8101820.cif |
| 107931 | 2014-03-24 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101820.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101820.cif |
| 12559 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101820 via cif-deposit CGI script. |
8101820.cif |
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Users of the data should acknowledge the original authors of the
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