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Information card for entry 2239614
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| Coordinates | 2239614.cif |
|---|---|
| Structure factors | 2239614.hkl |
| Original IUCr paper | HTML |
| Chemical name | (1,6,7,12-Tetraazaperylene-κ^2^<i>N</i>,<i>N</i>')bis(4,4',5,5'-tetramethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')ruthenium(II) bis(hexafluoridophosphate) acetonitrile trisolvate |
|---|---|
| Formula | C50 H49 F12 N11 P2 Ru |
| Calculated formula | C48 H46 F12 N10 P2 Ru |
| Title of publication | (1,6,7,12-Tetraazaperylene-κ^2^<i>N</i>,<i>N</i>')bis(4,4',5,5'-tetramethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')ruthenium(II) bis(hexafluoridophosphate) acetonitrile trisolvate |
| Authors of publication | Brietzke, Thomas; Kässler, Daniel; Kelling, Alexandra; Schilde, Uwe; Holdt, Hans-Jürgen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | m238 - m239 |
| a | 12.7485 ± 0.0005 Å |
| b | 13.6973 ± 0.0007 Å |
| c | 17.3623 ± 0.0009 Å |
| α | 105.786 ± 0.004° |
| β | 92.858 ± 0.004° |
| γ | 110.436 ± 0.003° |
| Cell volume | 2698.3 ± 0.2 Å3 |
| Cell temperature | 210 K |
| Ambient diffraction temperature | 210 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 | 0.0681 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1169 |
| Weighted residual factors for all reflections included in the refinement | 0.1242 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.936 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181896 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/96. |
2239614.cif 2239614.hkl |
| 181315 | 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 2/23/96. |
2239614.cif 2239614.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. |
2239614.cif 2239614.hkl |
| 115031 | 2014-06-02 | cif/ hkl/ Adding structures of 2239614 via cif-deposit CGI script. |
2239614.cif 2239614.hkl |
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Users of the data should acknowledge the original authors of the
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