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Information card for entry 4071742
Preview
| Coordinates | 4071742.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H7 B F38 O2 P2 Pt |
|---|---|
| Calculated formula | C31 H7 B F38 O2 P2 Pt |
| SMILES | [Pt]1([P](CC[P]1(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)(OC(C(F)(F)F)=[O][B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C |
| Title of publication | Synthesis of [(dfepe)Pt(Me)(NC5F5)]+B(C6F5)4−, a Highly Active Ethylene Dimerization Catalyst |
| Authors of publication | Basu, Sayanti; Arulsamy, Navamoney; Roddick, Dean M. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 15 |
| Pages of publication | 3659 |
| a | 37.288 ± 0.0007 Å |
| b | 11.759 ± 0.0002 Å |
| c | 37.4162 ± 0.0007 Å |
| α | 90° |
| β | 91.496 ± 0.001° |
| γ | 90° |
| Cell volume | 16400.3 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.06 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.079 |
| Weighted residual factors for all reflections included in the refinement | 0.0866 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178606 (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 4/07/17. |
4071742.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071742.cif |
| 88562 | 2013-09-27 | smi/4 Adding SMILES for boron-containing compounds. |
4071742.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071742.cif |
| 44007 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071742, 4071743, 4071744 via cif-deposit CGI script. |
4071742.cif |
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Users of the data should acknowledge the original authors of the
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