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Information card for entry 4077570
Preview
| Coordinates | 4077570.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H40 B F24 O10 P2 Re |
|---|---|
| Calculated formula | C49 H40 B F24 O10 P2 Re |
| SMILES | [B-](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.[Re]([P]12OCC(CO1)(CO2)C)([P]12OCC(CO1)(CO2)C)(C#[O])(C#[O])(C#[O])[O](CC)CC |
| Title of publication | Synthesis of and Small Molecule Coordination to Highly Electrophilic Cationic Manganese(I) and Rhenium(I) Carbonyl Complexes with Tied-Back Phosphites |
| Authors of publication | Fang, Xinggao; Scott, Brian L.; John, Kevin D.; Kubas, Gregory J. |
| Journal of publication | Organometallics |
| Year of publication | 2000 |
| Journal volume | 19 |
| Journal issue | 20 |
| Pages of publication | 4141 |
| a | 12.9841 ± 0.0009 Å |
| b | 14.2024 ± 0.001 Å |
| c | 16.3209 ± 0.0012 Å |
| α | 91.325 ± 0.001° |
| β | 98.447 ± 0.001° |
| γ | 102.836 ± 0.002° |
| Cell volume | 2897.8 ± 0.4 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 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 | 0.0943 |
| Residual factor for significantly intense reflections | 0.0644 |
| Weighted residual factors for significantly intense reflections | 0.1152 |
| Weighted residual factors for all reflections included in the refinement | 0.1246 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.275 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178664 (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 4/07/75. |
4077570.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4077570.cif |
| 54629 | 2012-04-28 | cif/ Adding structures of 4077569, 4077570, 4077571 via cif-deposit CGI script. |
4077570.cif |
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Users of the data should acknowledge the original authors of the
structural data.