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Information card for entry 4327357
Preview
| Coordinates | 4327357.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H100 B Cl Cu6 F4 O8 P8 S8 |
|---|---|
| Calculated formula | C74 H100 B Cl Cu6 F4 O8 P8 S8 |
| SMILES | [Cu]123[Cl]45[Cu]67[P](c8ccccc8)(c8ccccc8)C[P](c8ccccc8)(c8ccccc8)[Cu]84[S]7=P([S]([Cu]4[S]([Cu]5([S]=P([S]84)(OC(C)C)OC(C)C)[P](C[P]3(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)P(=[S]13)(OC(C)C)OC(C)C)[Cu]3[S]6P(=[S]2)(OC(C)C)OC(C)C)(OC(C)C)OC(C)C.[B](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 | 25.198 ± 0.004 Å |
| b | 15.99 ± 0.003 Å |
| c | 25.421 ± 0.004 Å |
| α | 90° |
| β | 106.027 ± 0.003° |
| γ | 90° |
| Cell volume | 9844 ± 3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 9 |
| 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 | 0.0908 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.131 |
| Weighted residual factors for all reflections included in the refinement | 0.1576 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| 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. |
4327357.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4327357.cif |
| 61121 | 2012-06-21 | cif/ Adding structures of 4327357 via cif-deposit CGI script. |
4327357.cif |
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