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Information card for entry 2239116
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| Coordinates | 2239116.cif |
|---|---|
| Structure factors | 2239116.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,1'-(Diselanediylbis{[<i>P</i>,<i>P</i>-diphenyl-<i>N</i>-(trimethylsilyl)phosphorimidoyl]methanylylidene})bis[1,1-diphenyl-<i>N</i>-(trimethylsilyl)-λ^5^-phosphanamine] pentane disolvate |
|---|---|
| Formula | C72 H102 N4 P4 Se2 Si4 |
| Calculated formula | C62 H78 N4 P4 Se2 Si4 |
| Title of publication | 1,1'-(Diselanediylbis{[<i>P</i>,<i>P</i>-diphenyl-<i>N</i>-(trimethylsilyl)phosphorimidoyl]methanylylidene})bis[1,1-diphenyl-<i>N</i>-(trimethylsilyl)-λ^5^-phosphanamine] pentane disolvate |
| Authors of publication | Thirumoorthi, Ramalingam; Chivers, Tristram; Laitinen, Risto S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | o20 - o21 |
| a | 10.25 ± 0.0003 Å |
| b | 13.442 ± 0.0003 Å |
| c | 14.667 ± 0.0004 Å |
| α | 65.611 ± 0.001° |
| β | 85.525 ± 0.001° |
| γ | 76.73 ± 0.002° |
| Cell volume | 1791.03 ± 0.08 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0882 |
| Residual factor for significantly intense reflections | 0.0683 |
| Weighted residual factors for significantly intense reflections | 0.1573 |
| Weighted residual factors for all reflections included in the refinement | 0.1695 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181891 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/91. |
2239116.cif 2239116.hkl |
| 181310 | 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 2/23/91. |
2239116.cif 2239116.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. |
2239116.cif 2239116.hkl |
| 105005 | 2014-03-11 | cif/ hkl/ Adding structures of 2239116 via cif-deposit CGI script. |
2239116.cif 2239116.hkl |
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Users of the data should acknowledge the original authors of the
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