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Information card for entry 2237357
Preview
| Coordinates | 2237357.cif |
|---|---|
| Structure factors | 2237357.hkl |
| Original IUCr paper | HTML |
| Chemical name | μ-Oxalato-bis[bis(triphenylphosphine)copper(I)] dichloromethane disolvate |
|---|---|
| Formula | C76 H64 Cl4 Cu2 O4 P4 |
| Calculated formula | C76 H64 Cl4 Cu2 O4 P4 |
| SMILES | C12C(=[O][Cu](O2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)O[Cu]([O]=1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl |
| Title of publication | μ-Oxalato-bis[bis(triphenylphosphine)copper(I)] dichloromethane disolvate |
| Authors of publication | Royappa, Andrew D.; Golen, James A.; Rheingold, Arnold L.; Royappa, A. Timothy |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 2 |
| Pages of publication | m126 |
| a | 13.4735 ± 0.0004 Å |
| b | 14.7294 ± 0.0004 Å |
| c | 18.2282 ± 0.0006 Å |
| α | 90° |
| β | 109.255 ± 0.001° |
| γ | 90° |
| Cell volume | 3415.14 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0493 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0817 |
| Weighted residual factors for all reflections included in the refinement | 0.0875 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181295 (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 2/23/73. |
2237357.cif 2237357.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. |
2237357.cif 2237357.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. | 2237357.cif 2237357.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237357.cif 2237357.hkl |
| 75372 | 2013-03-09 | cif/ Adding structures of 2237357 via cif-deposit CGI script. |
2237357.cif |
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Users of the data should acknowledge the original authors of the
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