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Information card for entry 4325143
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| Coordinates | 4325143.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | pentakis(triethylphosphino)-hexakis(copper-phenylthiolate) |
|---|---|
| Chemical name | tris(μ~3~-phenylsulfido)-tris(μ~2~-phenylsulfido) -pentakis(triethylphosphine)-hexa-copper |
| Formula | C66 H105 Cu6 P5 S6 |
| Calculated formula | C66 H105 Cu6 P5 S6 |
| SMILES | [Cu]1([S]2(c3ccccc3)[Cu]3[S](c4ccccc4)[Cu]([S]4([Cu]2([S]([Cu]([S]1c1ccccc1)[P](CC)(CC)CC)(c1ccccc1)[Cu]4([S]3c1ccccc1)[P](CC)(CC)CC)[P](CC)(CC)CC)c1ccccc1)[P](CC)(CC)CC)[P](CC)(CC)CC |
| 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 | 13.118 ± 0.0008 Å |
| b | 13.8829 ± 0.0009 Å |
| c | 23.449 ± 0.0014 Å |
| α | 91.776 ± 0.005° |
| β | 94.983 ± 0.005° |
| γ | 116.266 ± 0.004° |
| Cell volume | 3803.5 ± 0.4 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 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 | 0.0603 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.0938 |
| Weighted residual factors for all reflections included in the refinement | 0.1003 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.949 |
| 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. |
4325143.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325143.cif |
| 43596 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4325143 via cif-deposit CGI script. |
4325143.cif |
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