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Information card for entry 7110307
Preview
| Coordinates | 7110307.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H14 Cl2 Cu F26 N4 Sb |
|---|---|
| Calculated formula | C49 H14 Cl2 Cu F26 N4 Sb |
| SMILES | [Sb](F)(F)(F)(F)(F)[F-].[Cu]12([n]3c(ccc4ccc5ccc([n]1c5c34)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[n]1c(ccc3ccc4ccc([n]2c4c13)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.ClCCl |
| Title of publication | Oxidation-resistant, sterically demanding phenanthrolines as supporting ligands for copper(i) nitrene transfer catalystsElectronic Supplementary Information (ESI) available: Synthesis of 1?4?, with spectroscopic and analytical details; crystallographic data plus additional structures. See http://www.rsc.org/suppdata/cc/b4/b404515g/ |
| Authors of publication | Hamilton, Charles W.; Laitar, David S.; Sadighi, Joseph P. |
| Journal of publication | Chemical Communications |
| Year of publication | 2004 |
| Journal issue | 14 |
| Pages of publication | 1628 - 1629 |
| a | 12.5042 ± 0.0013 Å |
| b | 14.2178 ± 0.0015 Å |
| c | 14.2393 ± 0.0015 Å |
| α | 74.479 ± 0.002° |
| β | 85.194 ± 0.002° |
| γ | 74.395 ± 0.002° |
| Cell volume | 2349.1 ± 0.4 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0409 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.0893 |
| Weighted residual factors for all reflections included in the refinement | 0.0924 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180217 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/03. |
7110307.cif |
| 94355 | 2014-01-23 | cif/ Adding structures of 7110307, 7110308 via cif-deposit CGI script. |
7110307.cif |
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