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Information card for entry 2239320
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| Coordinates | 2239320.cif |
|---|---|
| Structure factors | 2239320.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{2-[(Triphenylmethyl)amino]phenyl} diselenide acetonitrile monosolvate |
|---|---|
| Formula | C52 H43 N3 Se2 |
| Calculated formula | C50 H40 N2 Se2 |
| SMILES | [Se]([Se]c1c(NC(c2ccccc2)(c2ccccc2)c2ccccc2)cccc1)c1c(NC(c2ccccc2)(c2ccccc2)c2ccccc2)cccc1 |
| Title of publication | Bis{2-[(Triphenylmethyl)amino]phenyl} diselenide acetonitrile monosolvate |
| Authors of publication | Neuba, Adam; Schneider, Tobias; Flörke, Ulrich; Henkel, Gerald |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | o537 - o538 |
| a | 9.2364 ± 0.0016 Å |
| b | 13.245 ± 0.002 Å |
| c | 18.248 ± 0.003 Å |
| α | 104.956 ± 0.004° |
| β | 103.578 ± 0.004° |
| γ | 101.636 ± 0.005° |
| Cell volume | 2013.1 ± 0.6 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0854 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.06 |
| Weighted residual factors for all reflections included in the refinement | 0.0679 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.636 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181893 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/93. |
2239320.cif 2239320.hkl |
| 181312 | 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 2/23/93. |
2239320.cif 2239320.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. |
2239320.cif 2239320.hkl |
| 109448 | 2014-04-13 | cif/ hkl/ Adding structures of 2239320 via cif-deposit CGI script. |
2239320.cif 2239320.hkl |
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