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Information card for entry 2240050
Preview
| Coordinates | 2240050.cif |
|---|---|
| Structure factors | 2240050.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2,11-Diaza[3.3](2,6)pyridinophane-\ κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')(1,6,7,12-tetraazaperylene-\ κ^2^<i>N</i>^1^,<i>N</i>^12^)ruthenium(II) bis(hexafluoridophosphate) acetonitrile 1.422-solvate |
|---|---|
| Formula | C32.84 H28.27 F12 N9.42 P2 Ru |
| Calculated formula | C32.843 H28.2645 F12 N9.4215 P2 Ru |
| Title of publication | Crystal structure of (2,11-diaza[3.3](2,6)pyridinophane-<i>{κ</i>}^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')(1,6,7,12-tetraazaperylene-<i>{κ</i>}^2^<i>N</i>^1^,<i>N</i>^12^)ruthenium(II) bis(hexafluoridophosphate) acetonitrile 1.422-solvate |
| Authors of publication | Brietzke, Thomas; Rottke, Falko Otto; Kelling, Alexandra; Schilde, Uwe; Holdt, Hans-Jürgen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 10 |
| Pages of publication | 265 - 268 |
| a | 11.7027 ± 0.0003 Å |
| b | 21.7157 ± 0.0007 Å |
| c | 13.9377 ± 0.0004 Å |
| α | 90° |
| β | 97.938 ± 0.002° |
| γ | 90° |
| Cell volume | 3508.08 ± 0.18 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0567 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for significantly intense reflections | 0.14 |
| Weighted residual factors for all reflections included in the refinement | 0.1461 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181900 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/00 |
2240050.cif 2240050.hkl |
| 181320 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/00. |
2240050.cif 2240050.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240050.cif 2240050.hkl |
| 125058 | 2014-10-08 | cif/ hkl/ Adding structures of 2240050 via cif-deposit CGI script. |
2240050.cif 2240050.hkl |
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Users of the data should acknowledge the original authors of the
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