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Information card for entry 7009207
Preview
| Coordinates | 7009207.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H40 As4 Cl F6 N2 P Ru |
|---|---|
| Calculated formula | C30 H40 As4 Cl F6 N2 P Ru |
| SMILES | [Ru]12([As](C)(C)c3ccccc3[As]1(C)C)([As](C)(C)c1ccccc1[As]2(C)C)(Cl)[n]1ccc(cc1)c1ccncc1.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | A spectroscopic, electrochemical and structural study of polarizable, dipolar ruthenium(II) arsine complexes as models for chromophores with large quadratic non-linear optical responses |
| Authors of publication | Coe, Benjamin J.; Beyer, Tim; Jeffery, John C.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 5 |
| Pages of publication | 797 |
| a | 17.847 ± 0.004 Å |
| b | 9.386 ± 0.002 Å |
| c | 27.936 ± 0.006 Å |
| α | 90° |
| β | 101.44 ± 0.03° |
| γ | 90° |
| Cell volume | 4586.6 ± 1.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.1257 |
| Residual factor for significantly intense reflections | 0.0727 |
| Weighted residual factors for significantly intense reflections | 0.1663 |
| Weighted residual factors for all reflections included in the refinement | 0.1881 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179796 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/92. |
7009207.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009207.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009207.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009207.cif |
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Users of the data should acknowledge the original authors of the
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