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Information card for entry 4325147
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| Coordinates | 4325147.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | tetrakis(triisopropylphosphino)-hexakis(copper-phenylthiolate) |
|---|---|
| Chemical name | tetrakis(μ~3~-phenylsulfido)-bis(μ~2~-phenylsulfido) -tetrakis(triisopropylphosphine)-hexa-copper |
| Formula | C72 H114 Cu6 P4 S6 |
| Calculated formula | C72 H114 Cu6 P4 S6 |
| SMILES | c1(ccccc1)[S]12[Cu]([P](C(C)C)(C(C)C)C(C)C)[S]3(c4ccccc4)[Cu]4([P](C(C)C)(C(C)C)C(C)C)[S](c5ccccc5)[Cu]1[S]1(c5ccccc5)[Cu]([P](C(C)C)(C(C)C)C(C)C)[S]4(c4ccccc4)[Cu]3[S](c3ccccc3)[Cu]21[P](C(C)C)(C(C)C)C(C)C |
| Title of publication | Trialkylphosphine-Stabilized Copper(I) Phenylchalcogenolate Complexes - Crystal Structures and Copper-Chalcogenolate Bonding |
| Authors of publication | Oliver Kluge; Katharina Grummt; Ralf Biedermann; Harald Krautscheid |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 4742 - 4752 |
| a | 14.8375 ± 0.0007 Å |
| b | 15.7165 ± 0.0009 Å |
| c | 18.4522 ± 0.0008 Å |
| α | 90° |
| β | 112.584 ± 0.003° |
| γ | 90° |
| Cell volume | 3973 ± 0.4 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0454 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0835 |
| Weighted residual factors for all reflections included in the refinement | 0.0858 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179354 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/51. |
4325147.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325147.cif |
| 43600 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4325147 via cif-deposit CGI script. |
4325147.cif |
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