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Information card for entry 2241601
Preview
| Coordinates | 2241601.cif |
|---|---|
| Structure factors | 2241601.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetrakis[μ~2~-2-(dimethylamino)ethanolato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>]di-μ~3~-hydroxido-dithiocyanato-κ^2^<i>N</i>-dichromium(III)dilead(II) dithiocyanate acetonitrile monosolvate |
|---|---|
| Formula | C22 H45 Cr2 N9 O6 Pb2 S4 |
| Calculated formula | C20 H42 Cr2 N8 O6 Pb2 S4 |
| SMILES | C(=N[Cr]1234[N](CC[O]2[Pb]2[N](CC[O]2[Cr]2([OH]3)(N=C=S)([N](CC[O]2[Pb]2[N](CC[O]12)(C)C)(C)C)[OH]4)(C)C)(C)C)=S.C(#N)[S-].C(#N)[S-] |
| Title of publication | Crystal structure of tetrakis[μ~2~-2-(dimethylamino)ethanolato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>]di-μ~3~-hydroxido-dithiocyanato-κ^2^<i>N</i>-dichromium(III)dilead(II) dithiocyanate acetonitrile monosolvate |
| Authors of publication | Rusanova, Julia A.; Semenaka, Valentyna V.; Omelchenko, Irina V. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 4 |
| Pages of publication | 489 - 491 |
| a | 17.533 ± 0.001 Å |
| b | 13.8815 ± 0.0007 Å |
| c | 16.6179 ± 0.0008 Å |
| α | 90° |
| β | 104.771 ± 0.006° |
| γ | 90° |
| Cell volume | 3910.9 ± 0.4 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0594 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0526 |
| Weighted residual factors for all reflections included in the refinement | 0.058 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.928 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181917 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/16. |
2241601.cif 2241601.hkl |
| 178118 | 2016-03-11 | cif/ hkl/ Adding structures of 2241601 via cif-deposit CGI script. |
2241601.cif 2241601.hkl |
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Users of the data should acknowledge the original authors of the
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