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Information card for entry 2241135
Preview
| Coordinates | 2241135.cif |
|---|---|
| Structure factors | 2241135.hkl |
| Original IUCr paper | HTML |
| Chemical name | Acetonitrile[η^6^-1-methyl-4-(1-methylethyl)benzene][1-(pyrimidin-2-yl)-3<i>H</i>-indol-1-ium-2-yl-κ^2^<i>N</i>,<i>C</i>]ruthenium(II) bis(hexafluoridoantimonate) |
|---|---|
| Formula | C24 H26 F12 N4 Ru Sb2 |
| Calculated formula | C24 H26 F12 N4 Ru Sb2 |
| SMILES | [Ru]123456([n]7c([N]8=C1Cc1ccccc81)nccc7)([N]#CC)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C)C(C)C.[Sb](F)(F)([F-])(F)(F)F.[Sb](F)(F)(F)(F)([F-])F |
| Title of publication | Crystal structure of acetonitrile[η^6^-1-methyl-4-(1-methylethyl)benzene][1-(pyrimidin-2-yl)-3<i>H</i>-indol-1-ium-2-yl-κ^2^<i>N</i>,<i>C</i>]ruthenium(II) bis(hexafluoridoantimonate) |
| Authors of publication | Sollert, Carina; Orthaber, Andreas; Pilarski, Lukasz T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 10 |
| Pages of publication | 1190 - 1192 |
| a | 16.6046 ± 0.0008 Å |
| b | 15.5955 ± 0.0007 Å |
| c | 23.2786 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6028.2 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0575 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0653 |
| Weighted residual factors for all reflections included in the refinement | 0.074 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181912 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/11. |
2241135.cif 2241135.hkl |
| 158385 | 2015-09-26 | cif/ hkl/ Adding structures of 2241135 via cif-deposit CGI script. |
2241135.cif 2241135.hkl |
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Users of the data should acknowledge the original authors of the
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