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Information card for entry 4325150
Preview
| Coordinates | 4325150.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | tris(triisopropylphosphino)-heptakis(copper-phenylselenolate) |
|---|---|
| Chemical name | pentakis(μ~3~-phenylselenido)-bis(μ~2~-phenylselenido) -tris(triisopropylphosphine)-hepta-copper |
| Formula | C69 H98 Cu7 P3 Se7 |
| Calculated formula | C69 H98 Cu7 P3 Se7 |
| SMILES | [Cu]12([Cu]3456[Cu]789([Cu]%10%11([Cu]%12([Se]8%10c8ccccc8)([Se]%11([Cu]37([Se]9([Cu]([Se]%12c3ccccc3)[P](C(C)C)(C(C)C)C(C)C)c3ccccc3)[Se]6c3ccccc3)c3ccccc3)[P](C(C)C)(C(C)C)C(C)C)[Se]25c2ccccc2)[Se]14c1ccccc1)[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 | 16.8095 ± 0.0009 Å |
| b | 21.8464 ± 0.0008 Å |
| c | 21.4504 ± 0.001 Å |
| α | 90° |
| β | 90.499 ± 0.004° |
| γ | 90° |
| Cell volume | 7876.9 ± 0.6 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 | 0.0569 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0542 |
| Weighted residual factors for all reflections included in the refinement | 0.0589 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.92 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4325150.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. |
4325150.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325150.cif |
| 43603 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4325150 via cif-deposit CGI script. |
4325150.cif |
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Users of the data should acknowledge the original authors of the
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