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Information card for entry 2237154
Preview
Coordinates | 2237154.cif |
---|---|
Structure factors | 2237154.hkl |
Original IUCr paper | HTML |
Chemical name | Chlorido[1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione- κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)copper(I) acetronitrile monosolvate |
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Formula | C40 H36 Cl Cu N4 P2 S |
Calculated formula | C40 H36 Cl Cu N4 P2 S |
SMILES | [Cu](Cl)([S]=c1[nH]nc[nH]1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.N#CC |
Title of publication | Chlorido[1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)copper(I) acetronitrile monosolvate |
Authors of publication | Wani, Kofsoh; Pakawatchai, Chaveng; Saithong, Saowanit |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2013 |
Journal volume | 69 |
Journal issue | 1 |
Pages of publication | m34 - m35 |
a | 10.2348 ± 0.0004 Å |
b | 16.4046 ± 0.0007 Å |
c | 22.3632 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3754.7 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0427 |
Residual factor for significantly intense reflections | 0.0377 |
Weighted residual factors for significantly intense reflections | 0.0838 |
Weighted residual factors for all reflections included in the refinement | 0.0859 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2237154.html
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