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Information card for entry 7052699
Preview
| Coordinates | 7052699.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H71 B Cl2 F20 Fe I Ir O2 P2 |
|---|---|
| Calculated formula | C64 H71 B Cl2 F20 Fe I Ir O2 P2 |
| SMILES | [IrH]12(I)[P](O[c]34[cH]5[Fe]6789%10%11%123([c]3([c]6([cH]7[c]8([cH]93)C(C)(C)C)C(C)(C)C)C(C)(C)C)[cH]5[cH]%10[c]%11(O[P]1(C(C)(C)C)C(C)(C)C)[c]24%12)(C(C)(C)C)C(C)(C)C.[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.ClCCl |
| Title of publication | [Cp′FeI]2 as convenient entry into iron-modified pincer complexes: bimetallic η6,κ1-POCOP-pincer iron iridium compounds |
| Authors of publication | Walter, Marc D.; White, Peter S. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 9 |
| Pages of publication | 1842 |
| a | 17.3392 ± 0.0002 Å |
| b | 12.8333 ± 0.0002 Å |
| c | 30.5957 ± 0.0004 Å |
| α | 90° |
| β | 97.517 ± 0.001° |
| γ | 90° |
| Cell volume | 6749.62 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 10 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0333 |
| Residual factor for significantly intense reflections | 0.0254 |
| Weighted residual factors for significantly intense reflections | 0.0555 |
| Weighted residual factors for all reflections included in the refinement | 0.0581 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180080 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/26. |
7052699.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052699.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052699.cif |
| 27483 | 2011-10-03 | ../uploads/cif-deposit/cod/cif Adding structures of 7052699, 7052700, 7052701, 7052702 via cif-deposit CGI script. |
7052699.cif |
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Users of the data should acknowledge the original authors of the
structural data.