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Information card for entry 7032784
Preview
| Coordinates | 7032784.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H56 F24 N16 O8 P4 Re4 |
|---|---|
| Calculated formula | C88 H56 F24 N16 O8 P4 Re4 |
| SMILES | c1cccc2c3cc4cc5[n]3[Re]([n]12)([n]1c5cccc1)([n]1ccc(c2cc3[n]5[Re]([n]6ccccc36)(C#[O])(C#[O])([n]3ccc(c6cc7c8cccc[n]8[Re]8([n]7c(c6)c6[n]8cccc6)([n]6ccc(c7cc8[n]9c(c7)c7[n](cccc7)[Re]9([n]7ccc4cc7)([n]4ccccc84)(C#[O])C#[O])cc6)(C#[O])C#[O])cc3)[n]3c(c5c2)cccc3)cc1)(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Synthesis of discrete Re(I) di- and tricarbonyl assemblies using a [4 ×1] directional bonding strategy. |
| Authors of publication | Laramée-Milette, Baptiste; Lachance-Brais, Christophe; Hanan, Garry S. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 1 |
| Pages of publication | 41 - 45 |
| a | 27.917 ± 0.016 Å |
| b | 12.514 ± 0.007 Å |
| c | 32.083 ± 0.017 Å |
| α | 90° |
| β | 94.01 ± 0.009° |
| γ | 90° |
| Cell volume | 11181 ± 11 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.1474 |
| Residual factor for significantly intense reflections | 0.0916 |
| Weighted residual factors for significantly intense reflections | 0.2344 |
| Weighted residual factors for all reflections included in the refinement | 0.2646 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.949 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180033 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/27. |
7032784.cif |
| 131066 | 2015-02-04 | cif/ Updating files of 7032783, 7032784 Original log message: Adding full bibliography for 7032783--7032784.cif. |
7032784.cif |
| 125197 | 2014-10-10 | cif/ Adding structures of 7032783, 7032784 via cif-deposit CGI script. |
7032784.cif |
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Users of the data should acknowledge the original authors of the
structural data.