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Information card for entry 4070587
Preview
| Coordinates | 4070587.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H62 F6 N4 O8 P4 Rh2 S2 |
|---|---|
| Calculated formula | C66 H62 F6 N4 O8 P4 Rh2 S2 |
| SMILES | [Rh]1([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])=C1N(C=CN1C)CCN1C(=[Rh]2([P](CC[P]2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)C#[O])N(C=C1)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | A-Frame Complexes of Dirhodium Bridged by Dicarbene and Diphosphine Ligands |
| Authors of publication | Wells, Kyle D.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 4 |
| Pages of publication | 691 |
| a | 18.8274 ± 0.0017 Å |
| b | 15.4094 ± 0.0014 Å |
| c | 23.436 ± 0.002 Å |
| α | 90° |
| β | 98.2285 ± 0.0013° |
| γ | 90° |
| Cell volume | 6729.2 ± 1 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0432 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0899 |
| Weighted residual factors for all reflections included in the refinement | 0.0996 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178594 (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 4/07/05. |
4070587.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070587.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070587.cif |
| 42577 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070581, 4070582, 4070583, 4070584, 4070585, 4070586, 4070587 via cif-deposit CGI script. |
4070587.cif |
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Users of the data should acknowledge the original authors of the
structural data.