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Information card for entry 4073124
Preview
| Coordinates | 4073124.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H17 B Cl F24 Ir P2 |
|---|---|
| Calculated formula | C35 B Cl F24 Ir P2 |
| SMILES | [B](F)(F)(F)[F-].[c]12([c]3([c]4([c]5([Ir]6134([P](C[P]6(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)(c1c(c(F)c(c(c1F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)(Cl)[c]25C)C)C)C)C |
| Title of publication | Synthesis of Piano Stool Complexes Employing the Pentafluorophenyl-Substituted Diphosphine (C6F5)2PCH2P(C6F5)2and the Effect of Phosphine Modifiers on Hydrogen Transfer Catalysis |
| Authors of publication | Marr, Andrew C.; Nieuwenhuyzen, Mark; Pollock, Ciara L.; Saunders, Graham C. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 10 |
| Pages of publication | 2659 |
| a | 17.95 ± 0.04 Å |
| b | 21.6 ± 0.05 Å |
| c | 9.71 ± 0.02 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3765 ± 14 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.1633 |
| Residual factor for significantly intense reflections | 0.1139 |
| Weighted residual factors for significantly intense reflections | 0.2497 |
| Weighted residual factors for all reflections included in the refinement | 0.2736 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178620 (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 4/07/31. |
4073124.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073124.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073124.cif |
| 46176 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073124 via cif-deposit CGI script. |
4073124.cif |
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Users of the data should acknowledge the original authors of the
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