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Information card for entry 4335078
Preview
| Coordinates | 4335078.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | {κ^2^ <i>C</i>, <i>N</i>-3-methyl-1-(pyrid-2-ylmethyl)- (2-phenyl-but-1-en-3-one-ylidene)-2,3-dihydro-imidazole-2-ylidene}- (2-phenyl-but-1-en-3-one-ylidene)-{κ^3^ <i>N</i>, <i>N</i>',<i>N</i>'' -<i>tris</i>(pirazolyl)borate}-ruthenium(II) <i>tetrakis</i>{3,5-<i>bis</i>(trifluoromethyl)phenyl}borate 0.43 dichloromethane solvate |
|---|---|
| Formula | C61.43 H42.86 B2 Cl0.86 F24 N9 O Ru |
| Calculated formula | C61.43 H42.86 B2 Cl0.86 F24 N9 O Ru |
| Title of publication | Functionalized N-Heterocyclic Carbene Nonspectator Ligands upon Internal Alkyne Activation Reactions |
| Authors of publication | Francys E. Fernández; María del Carmen Puerta; Pedro Valerga |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 6502 - 6509 |
| a | 12.821 ± 0.003 Å |
| b | 13.172 ± 0.003 Å |
| c | 19.174 ± 0.004 Å |
| α | 81.22 ± 0.03° |
| β | 88.22 ± 0.03° |
| γ | 86.08 ± 0.03° |
| Cell volume | 3191.9 ± 1.3 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 | 0.0553 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.1185 |
| Weighted residual factors for all reflections included in the refinement | 0.1227 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| 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 |
|---|---|---|---|
| 179453 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/50. |
4335078.cif |
| 100982 | 2014-02-10 | cif/ Adding structures of 4335078 via cif-deposit CGI script. |
4335078.cif |
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Users of the data should acknowledge the original authors of the
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