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Information card for entry 4070793
Preview
| Coordinates | 4070793.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H23 B N2 O3 P Re S |
|---|---|
| Calculated formula | C25 H23 B N2 O3 P Re S |
| SMILES | [Re]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([S]=c2n(ccn2C)[BH2][H]1)(C#[O])(C#[O])C#[O] |
| Title of publication | Mixed-Ligand Rhenium Tricarbonyl Complexes Anchored on a (κ2-H,S) Trihydro(mercaptoimidazolyl)borate: A Missing Binding Motif for Soft Scorpionates |
| Authors of publication | Videira, Margarida; Maria, Leonor; Paulo, António; Santos, Isabel C.; Santos, Isabel; Vaz, Pedro D.; Calhorda, Maria José |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 6 |
| Pages of publication | 1334 |
| a | 8.486 ± 0.002 Å |
| b | 10.7559 ± 0.0019 Å |
| c | 15.5117 ± 0.0015 Å |
| α | 94.743 ± 0.011° |
| β | 103.313 ± 0.012° |
| γ | 109.504 ± 0.017° |
| Cell volume | 1278.9 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0384 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0626 |
| Weighted residual factors for all reflections included in the refinement | 0.0648 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178596 (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 4/07/07. |
4070793.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070793.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070793.cif |
| 42704 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070793 via cif-deposit CGI script. |
4070793.cif |
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Users of the data should acknowledge the original authors of the
structural data.