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Information card for entry 2239024
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| Coordinates | 2239024.cif |
|---|---|
| Structure factors | 2239024.hkl |
| Original IUCr paper | HTML |
| Chemical name | Chlorido[5-methoxy-1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)copper(I) methanol disolvate |
|---|---|
| Formula | C46 H46 Cl Cu N2 O3 P2 S |
| Calculated formula | C46 H46 Cl Cu N2 O3 P2 S |
| SMILES | [Cu]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)[S]=C1Nc2c(N1)ccc(OC)c2.OC.OC |
| Title of publication | Chlorido[5-methoxy-1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)copper(I) methanol disolvate |
| Authors of publication | Meng, Qing-Xuan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | m60 |
| a | 12.8354 ± 0.0009 Å |
| b | 18.4979 ± 0.0017 Å |
| c | 18.7933 ± 0.0018 Å |
| α | 90° |
| β | 92.839 ± 0.012° |
| γ | 90° |
| Cell volume | 4456.6 ± 0.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.18 |
| Residual factor for significantly intense reflections | 0.0857 |
| Weighted residual factors for significantly intense reflections | 0.1907 |
| Weighted residual factors for all reflections included in the refinement | 0.2171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181890 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/90. |
2239024.cif 2239024.hkl |
| 181309 | 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 2/23/90. |
2239024.cif 2239024.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. |
2239024.cif 2239024.hkl |
| 104856 | 2014-03-11 | cif/ hkl/ Adding structures of 2239024 via cif-deposit CGI script. |
2239024.cif 2239024.hkl |
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Users of the data should acknowledge the original authors of the
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