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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) |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4325147.html
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