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Information card for entry 4063864
Preview
| Coordinates | 4063864.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H25 Cl F6 N2 O P2 Ru |
|---|---|
| Calculated formula | C30 H25 Cl F6 N2 O P2 Ru |
| SMILES | [Ru]123456(Cl)([O]=C(N=P(c7ccccc7)(c7ccccc7)c7ccccc7)c7cccc[n]17)[cH]1[cH]2[cH]3[cH]4[cH]5[cH]61.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Cycloruthenated Complexes from Iminophosphoranes: Synthesis, Structure, and Reactivity with Internal Alkynes |
| Authors of publication | Aguilar, David; Bielsa, Raquel; Soler, Tatiana; Urriolabeitia, Esteban P. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 3 |
| Pages of publication | 642 |
| a | 8.9225 ± 0.0003 Å |
| b | 12.8395 ± 0.0004 Å |
| c | 14.0101 ± 0.0005 Å |
| α | 79.197 ± 0.003° |
| β | 85.263 ± 0.003° |
| γ | 70.482 ± 0.003° |
| Cell volume | 1485.62 ± 0.09 Å3 |
| Cell temperature | 293 ± 1 K |
| Ambient diffraction temperature | 293 ± 1 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0648 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.0962 |
| Weighted residual factors for all reflections included in the refinement | 0.1018 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178533 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/38. |
4063864.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063864.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063864.cif |
| 32704 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4063864, 4063865, 4063866 via cif-deposit CGI script. |
4063864.cif |
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