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Information card for entry 4325157
Preview
| Coordinates | 4325157.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | hexakis(trimethylphosphino)-deca(copper-phenylthiolate) |
|---|---|
| Chemical name | bis(μ~4~-phenylsulfido)-tetrakis(μ~3~-phenylsulfido) -tetrakis(μ~2~-phenylsulfido)-hexakis(trimethylphosphine)- deca-copper methanol solvate |
| Formula | C79 H107 Cu10 O P6 S10 |
| Calculated formula | C79 H107 Cu10 O P6 S10 |
| 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 | 28.4226 ± 0.001 Å |
| b | 13.5129 ± 0.0005 Å |
| c | 25.2897 ± 0.0009 Å |
| α | 90° |
| β | 105.633 ± 0.003° |
| γ | 90° |
| Cell volume | 9353.7 ± 0.6 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0379 |
| Residual factor for significantly intense reflections | 0.0271 |
| Weighted residual factors for significantly intense reflections | 0.06 |
| Weighted residual factors for all reflections included in the refinement | 0.0629 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4325157.cif |
| 179354 | 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. |
4325157.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325157.cif |
| 43610 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4325157 via cif-deposit CGI script. |
4325157.cif |
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