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Information card for entry 4114302
Preview
| Coordinates | 4114302.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H52 B F24 Mo2 O2 P |
|---|---|
| Calculated formula | C62 H52 B F24 Mo2 O2 P |
| SMILES | [Mo]123456789(P=[Mo]%10%11%12%13([cH]%14[cH]%10[cH]%11[cH]%12[cH]%13%14)(C#[O])C#[O])([cH]%10[c]5([cH]4[c]3([cH]2[c]1%10C(C)(C)C)C(C)(C)C)C(C)(C)C)[cH]1[cH]9[cH]8[cH]7[cH]61.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |
| Title of publication | Ten-Electron Coordination and Reactivity of an Arylphosphinidene Ligand |
| Authors of publication | M. Esther García; Víctor Riera; Miguel A. Ruiz; David Sáez; Hayrullo Hamidov; John C. Jeffery; Thomas Riis-Johannessen |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2003 |
| Journal volume | 125 |
| Pages of publication | 13044 - 13045 |
| a | 15.1853 ± 0.0003 Å |
| b | 21.1676 ± 0.0005 Å |
| c | 19.476 ± 0.0004 Å |
| α | 90° |
| β | 98.695 ± 0.001° |
| γ | 90° |
| Cell volume | 6188.3 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| 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 | 0.0452 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0717 |
| Weighted residual factors for all reflections included in the refinement | 0.0749 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.91 |
| Diffraction radiation wavelength | 1.54185 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178914 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/43. |
4114302.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4114302.cif |
| 67589 | 2012-09-28 | cif/ Adding structures of 4114302 via cif-deposit CGI script. |
4114302.cif |
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Users of the data should acknowledge the original authors of the
structural data.