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Information card for entry 2239546
Preview
| Coordinates | 2239546.cif |
|---|---|
| Structure factors | 2239546.hkl |
| Original IUCr paper | HTML |
| Chemical name | [μ-Butane-1,4-diylbis(diphenylphosphane)-κ^2^<i>P</i>:<i>P</i>']bis{[butane-1,4-diylbis(diphenylphosphane)-κ^2^<i>P</i>,<i>P</i>']copper(I)} bis(hexafluoridophosphate) diethyl ether disolvate |
|---|---|
| Formula | C92 H104 Cu2 F12 O2 P8 |
| Calculated formula | C92 H104 Cu2 F12 O2 P8 |
| SMILES | c1c(cccc1)[P]([Cu]1[P](c2ccccc2)(c2ccccc2)CCCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)CCCC[P](c1ccccc1)(c1ccccc1)[Cu]1[P](c2ccccc2)(c2ccccc2)CCCC[P]1(c1ccccc1)c1ccccc1.CCOCC.[P](F)(F)(F)(F)(F)[F-].C(C)OCC.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | [μ-Butane-1,4-diylbis(diphenylphosphane)-κ^2^<i>P</i>:<i>P</i>']bis{[butane-1,4-diylbis(diphenylphosphane)-κ^2^<i>P</i>,<i>P</i>']copper(I)} bis(hexafluoridophosphate) diethyl ether disolvate |
| Authors of publication | Nishikawa, Michihiro; Akiyama, Asumi; Tsubomura, Taro |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | m204 - m205 |
| a | 12.7912 ± 0.0013 Å |
| b | 13.7023 ± 0.0016 Å |
| c | 14.3811 ± 0.0013 Å |
| α | 105.595 ± 0.003° |
| β | 90.858 ± 0.002° |
| γ | 111.932 ± 0.003° |
| Cell volume | 2233.2 ± 0.4 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0444 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for all reflections included in the refinement | 0.0899 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181895 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/95. |
2239546.cif 2239546.hkl |
| 181314 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/95. |
2239546.cif 2239546.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239546.cif 2239546.hkl |
| 113314 | 2014-05-10 | cif/ hkl/ Adding structures of 2239546 via cif-deposit CGI script. |
2239546.cif 2239546.hkl |
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