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Information card for entry 2232411
Preview
| Coordinates | 2232411.cif |
|---|---|
| Structure factors | 2232411.hkl |
| Original IUCr paper | HTML |
| Chemical name | (μ-Piperazine-1,4-dicarbodithioato- κ^4^<i>S</i>^1^,<i>S</i>^1'^:<i>S</i>^4^,<i>S</i>^4'^) bis[bis(triphenylphosphane-κ<i>P</i>)gold(I)] chloroform disolvate |
|---|---|
| Formula | C80 H70 Au2 Cl6 N2 P4 S4 |
| Calculated formula | C80 H70 Au2 Cl6 N2 P4 S4 |
| SMILES | C1(N2CCN(C3=[S][Au]([P](c4ccccc4)(c4ccccc4)c4ccccc4)([P](c4ccccc4)(c4ccccc4)c4ccccc4)S3)CC2)=[S][Au]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)S1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
| Title of publication | (μ-Piperazine-1,4-dicarbodithioato-κ^4^<i>S</i>^1^,<i>S</i>^1'^:<i>S</i>^4^,<i>S</i>^4'^)bis[bis(triphenylphosphane-κ<i>P</i>)gold(I)] chloroform disolvate |
| Authors of publication | Guzei, Ilia A.; Spencer, Lara C.; Lillywhite, Stacy; Darkwa, James |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1629 - m1630 |
| a | 12.8455 ± 0.0017 Å |
| b | 13.2879 ± 0.001 Å |
| c | 13.4197 ± 0.0009 Å |
| α | 119.572 ± 0.002° |
| β | 101.544 ± 0.002° |
| γ | 96.039 ± 0.002° |
| Cell volume | 1895.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0281 |
| Residual factor for significantly intense reflections | 0.0281 |
| Weighted residual factors for significantly intense reflections | 0.0739 |
| Weighted residual factors for all reflections included in the refinement | 0.074 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.152 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | Cu-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181246 (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 2/23/24. |
2232411.cif 2232411.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. |
2232411.cif 2232411.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232411.cif 2232411.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. | 2232411.cif 2232411.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232411.cif 2232411.hkl |
| 31068 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232411 via cif-deposit CGI script. |
2232411.cif |
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