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Information card for entry 4065699
Preview
| Coordinates | 4065699.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [TpRu{=C=C(Ph)COPh}(PMe^i^Pr~2~)(NCCH~3~)][B(C~8~H~3~F~6~)~4~].C~6~H~5~F |
|---|---|
| Chemical name | Acetonitrile-(2-benzoyl-2-phenyl-ethenylidene)-{hydrogen-tris(pyrazolyl)borato- κ^3^-N,N',N''}-(diisopropyl-methyl-phosphino)-ruthenium (II) tetrakis{3,5-bis(trifluoromethyl)phenyl}borate fluoro-benzene solvate |
| Formula | C71 H57 B2 F25 N7 O P Ru |
| Calculated formula | C71 H57 B2 F25 N7 O P Ru |
| Title of publication | Isomerization of Internal Alkynones to Vinylidenes in Tris(pyrazolyl)borate Ruthenium Complexes. Solution and Solid-State Kinetics |
| Authors of publication | de los Ríos, Isaac; Bustelo, Emilio; Puerta, M. Carmen; Valerga, Pedro |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 7 |
| Pages of publication | 1740 |
| a | 12.659 ± 0.003 Å |
| b | 16.205 ± 0.003 Å |
| c | 19.6 ± 0.004 Å |
| α | 108.86 ± 0.03° |
| β | 105.85 ± 0.03° |
| γ | 93.6 ± 0.03° |
| Cell volume | 3609.4 ± 1.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0578 |
| Residual factor for significantly intense reflections | 0.0535 |
| Weighted residual factors for significantly intense reflections | 0.1219 |
| Weighted residual factors for all reflections included in the refinement | 0.1249 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194597 (current) | 2017-03-29 | cif/4/ (antanas@echidna.ibt.lt) Replacing the "\K" substring with the "\k" substring in the values of the _chemical_name_common and _chemical_name_systematic data items in entries 4063887, 4063888, 4063889, 4063890, 4063891, 4063892, 4063893, 4064692, 4064693, 4064694, 4065699, 4304592, 4307205, 4317613, 4333324, 4333326. |
4065699.cif |
| 178549 | 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 4/06/56. |
4065699.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065699.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065699.cif |
| 33660 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4065699 via cif-deposit CGI script. |
4065699.cif |
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Users of the data should acknowledge the original authors of the
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