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Information card for entry 2236210
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| Coordinates | 2236210.cif |
|---|---|
| Structure factors | 2236210.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[(1,1'-biphenyl-2,2'-diyl)di-<i>tert</i>-butylphosphonium] di-μ-chlorido-bis[dichloridopalladate(II)] |
|---|---|
| Formula | C40 H52 Cl6 P2 Pd2 |
| Calculated formula | C40 H52 Cl6 P2 Pd2 |
| SMILES | c12c(cccc1)c1c(cccc1)[P+]2(C(C)(C)C)C(C)(C)C.[Cl]1[Pd](Cl)(Cl)[Cl][Pd]1(Cl)Cl.c12c(cccc1)c1c(cccc1)[P+]2(C(C)(C)C)C(C)(C)C |
| Title of publication | Bis[(1,1'-biphenyl-2,2'-diyl)di-<i>tert</i>-butylphosphonium] di-μ-chlorido-bis[dichloridopalladate(II)] |
| Authors of publication | Arderne, Charmaine; Holzapfel, Cedric W. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 10 |
| Pages of publication | m1247 |
| a | 8.3247 ± 0.0002 Å |
| b | 11.2697 ± 0.0002 Å |
| c | 11.7004 ± 0.0003 Å |
| α | 73.0982 ± 0.0006° |
| β | 85.09 ± 0.0006° |
| γ | 82.2708 ± 0.0005° |
| Cell volume | 1039.49 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.015 |
| Residual factor for significantly intense reflections | 0.0146 |
| Weighted residual factors for significantly intense reflections | 0.0366 |
| Weighted residual factors for all reflections included in the refinement | 0.0369 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181284 (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 2/23/62. |
2236210.cif 2236210.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. |
2236210.cif 2236210.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236210.cif 2236210.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. | 2236210.cif 2236210.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. |
2236210.cif 2236210.hkl |
| 69779 | 2012-12-21 | cif/ Adding structures of 2236210 via cif-deposit CGI script. |
2236210.cif |
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Users of the data should acknowledge the original authors of the
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