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Information card for entry 4327354
Preview
Coordinates | 4327354.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H64 Cu3 F6 O4 P7 S4 |
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Calculated formula | C58 H64 Cu3 F6 O4 P7 S4 |
SMILES | [Cu]12[P](C[P]([Cu]34[P](C[P]([Cu]([S]13P(=[S]4)(OCC)OCC)[S]=P(S2)(OCC)OCC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Versatility of Dithiophosphates in the Syntheses of Copper(I) Complexes with Bis(diphenylphosphino)alkanes: Abstraction of Chloride from Dichloromethane |
Authors of publication | Ben-Jie Liaw; Tarlok S. Lobana; Ya-Wen Lin; Ju-Chun Wang; C. W. Liu |
Journal of publication | Inorganic Chemistry |
Year of publication | 2005 |
Journal volume | 44 |
Pages of publication | 9921 - 9929 |
a | 12.812 ± 0.002 Å |
b | 15.221 ± 0.003 Å |
c | 17.1 ± 0.003 Å |
α | 82.275 ± 0.003° |
β | 83.963 ± 0.003° |
γ | 89.726 ± 0.003° |
Cell volume | 3286 ± 1 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0717 |
Residual factor for significantly intense reflections | 0.0484 |
Weighted residual factors for significantly intense reflections | 0.1186 |
Weighted residual factors for all reflections included in the refinement | 0.1372 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179376 (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 4/32/73. |
4327354.cif |
120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4327354.cif |
61118 | 2012-06-21 | cif/ Adding structures of 4327354 via cif-deposit CGI script. |
4327354.cif |
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Users of the data should acknowledge the original authors of the
structural data.