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Information card for entry 2019491
Preview
| Coordinates | 2019491.cif |
|---|---|
| Structure factors | 2019491.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>rac</i>-1-[(<i>N</i>,4-Dimethylbenzenesulfonamido)methyl]-2-(diphenylphosphoryl)ferrocene‒<i>rac</i>-1-[(<i>N</i>,4-dimethylbenzenesulfonamido)methyl]-2-(diphenylphosphanyl)ferrocene (0.45/0.55) |
|---|---|
| Formula | C31 H30 Fe N O2 P S |
| Calculated formula | C31 H30 Fe N O2.45 P S |
| Title of publication | The cocrystal <i>rac</i>-1-[(<i>N</i>,4-dimethylbenzenesulfonamido)methyl]-2-(diphenylphosphoryl)ferrocene‒<i>rac</i>-1-[(<i>N</i>,4-dimethylbenzenesulfonamido)methyl]-2-(diphenylphosphanyl)ferrocene (0.45/0.55) |
| Authors of publication | Wei, Muh-Mei; Audin, Catherine; Manoury, Eric; Deydier, Eric; Daran, Jean-Claude |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | 281 - 284 |
| a | 10.4675 ± 0.0007 Å |
| b | 10.5147 ± 0.0006 Å |
| c | 13.1941 ± 0.0008 Å |
| α | 108.426 ± 0.003° |
| β | 101.31 ± 0.004° |
| γ | 96.791 ± 0.003° |
| Cell volume | 1325.38 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.049 |
| Residual factor for significantly intense reflections | 0.0367 |
| Weighted residual factors for significantly intense reflections | 0.0891 |
| Weighted residual factors for all reflections included in the refinement | 0.0969 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181864 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/94. |
2019491.cif 2019491.hkl |
| 180862 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/94. |
2019491.cif 2019491.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019491.cif 2019491.hkl |
| 110641 | 2014-04-19 | cif/ hkl/ Adding structures of 2019491 via cif-deposit CGI script. |
2019491.cif 2019491.hkl |
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