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Information card for entry 2237086
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| Coordinates | 2237086.cif |
|---|---|
| Structure factors | 2237086.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ-iodido-bis[(biphenyl-2-yl)(triphenylphosphane-κ<i>P</i>)palladium(II)] |
|---|---|
| Formula | C60 H48 I2 P2 Pd2 |
| Calculated formula | C60 H48 I2 P2 Pd2 |
| SMILES | c1(ccccc1c1ccccc1)[Pd]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[I][Pd](c2ccccc2c2ccccc2)([I]1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Di-μ-iodido-bis[(biphenyl-2-yl)(triphenylphosphane-κ<i>P</i>)palladium(II)] |
| Authors of publication | Brown, Shayne; Crundwell, Guy |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | m1526 |
| a | 9.6957 ± 0.0004 Å |
| b | 20.0969 ± 0.001 Å |
| c | 18.3718 ± 0.0007 Å |
| α | 90° |
| β | 133.962 ± 0.004° |
| γ | 90° |
| Cell volume | 2576.7 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1067 |
| Residual factor for significantly intense reflections | 0.0571 |
| Weighted residual factors for significantly intense reflections | 0.1189 |
| Weighted residual factors for all reflections included in the refinement | 0.1342 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181292 (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 2/23/70. |
2237086.cif 2237086.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. |
2237086.cif 2237086.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2237086.cif 2237086.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2237086.cif 2237086.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. | 2237086.cif 2237086.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2237086.cif 2237086.hkl |
| 71366 | 2013-01-18 | cif/ Adding structures of 2237086 via cif-deposit CGI script. |
2237086.cif |
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Users of the data should acknowledge the original authors of the
structural data.