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Information card for entry 2241050
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| Coordinates | 2241050.cif |
|---|---|
| Structure factors | 2241050.hkl |
| Original IUCr paper | HTML |
| Chemical name | (μ-<i>N</i>-Allylthiourea-κ^2^<i>S</i>:<i>S</i>)bis[μ-bis(diphenylphosphanyl)methane-κ^2^<i>P</i>:<i>P</i>']bis[bromidocopper(I)] acetonitrile disolvate |
|---|---|
| Formula | C58 H58 Br2 Cu2 N4 P4 S |
| Calculated formula | C58 H58 Br2 Cu2 N4 P4 S |
| SMILES | [Cu]12(Br)[S]([Cu](Br)([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)=C(N)NCC=C.CC#N.N#CC |
| Title of publication | Crystal structure of (μ-<i>N</i>-allylthiourea-κ^2^<i>S</i>:<i>S</i>)bis[μ-bis(diphenylphosphanyl)methane-κ^2^<i>P</i>:<i>P</i>']bis[bromidocopper(I)] acetonitrile disolvate |
| Authors of publication | Hemman, Mareeya; Pakawatchai, Chaveng; Boonmak, Jaursup; Youngme, Sujittra; Saithong, Saowanit |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 9 |
| Pages of publication | 1081 - 1084 |
| a | 13.7569 ± 0.0007 Å |
| b | 24.273 ± 0.0011 Å |
| c | 17.8527 ± 0.0008 Å |
| α | 90° |
| β | 111.317 ± 0.002° |
| γ | 90° |
| Cell volume | 5553.5 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0456 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.0635 |
| Weighted residual factors for all reflections included in the refinement | 0.0673 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241050.cif 2241050.hkl |
| 153700 | 2015-08-27 | cif/ hkl/ Adding structures of 2241050 via cif-deposit CGI script. |
2241050.cif 2241050.hkl |
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Users of the data should acknowledge the original authors of the
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