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Information card for entry 2239105
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| Coordinates | 2239105.cif |
|---|---|
| Structure factors | 2239105.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Iodidobis(morpholine-4-carbodithioato-κ^2^<i>S</i>,<i>S</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bismuth(III) |
|---|---|
| Formula | C24 H28 Bi I N4 S4 |
| Calculated formula | C24 H28 Bi I N4 S4 |
| SMILES | [Bi]123(I)([n]4cccc5c4c4[n]1cccc4cc5)([S]=C(N1CCCCC1)S2)SC(=[S]3)N1CCCCC1 |
| Title of publication | Iodidobis(morpholine-4-carbodithioato-κ^2^<i>S</i>,<i>S</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bismuth(III) |
| Authors of publication | Li, Feng; Yin, Handong; Wu, Guoxing |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | m20 |
| a | 14.782 ± 0.004 Å |
| b | 10.883 ± 0.003 Å |
| c | 18.03 ± 0.004 Å |
| α | 90° |
| β | 100.035 ± 0.004° |
| γ | 90° |
| Cell volume | 2856.2 ± 1.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0544 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.0889 |
| Weighted residual factors for all reflections included in the refinement | 0.0999 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
2239105.cif 2239105.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. |
2239105.cif 2239105.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. |
2239105.cif 2239105.hkl |
| 104994 | 2014-03-11 | cif/ hkl/ Adding structures of 2239105 via cif-deposit CGI script. |
2239105.cif 2239105.hkl |
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