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Information card for entry 4072467
Preview
| Coordinates | 4072467.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H39 B N7 O P Ru |
|---|---|
| Calculated formula | C40 H39 B N7 O P Ru |
| SMILES | [Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([n]3n([BH](n4[n]1ccc4)n1[n]2ccc1)ccc3)(/C=C/C=C/c1ccc(N(C)C)cc1)C#[O] |
| Title of publication | Synthesis and Second-Order NLO Properties of Donor‒Acceptor σ-Alkenyl Ruthenium Complexes |
| Authors of publication | Yuan, Ping; Yin, Jun; Yu, Guang-ao; Hu, Quanyuan; Liu, Sheng Hua |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 1 |
| Pages of publication | 196 |
| a | 13.4803 ± 0.0009 Å |
| b | 14.9598 ± 0.0009 Å |
| c | 18.767 ± 0.001 Å |
| α | 90° |
| β | 98.342 ± 0.001° |
| γ | 90° |
| Cell volume | 3744.6 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0647 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1202 |
| Weighted residual factors for all reflections included in the refinement | 0.1275 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178613 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/24. |
4072467.cif |
| 132619 | 2015-03-02 | cif/ (antanas@koala.ibt.lt) Fixing various typos in '_symmetry_space_group_name_Hall' tag for 18 CIFs in range 4. |
4072467.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072467.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072467.cif |
| 45834 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072467 via cif-deposit CGI script. |
4072467.cif |
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