Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7039972
Preview
| Coordinates | 7039972.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H7 Cl2 F12 Hg3 Mo O2 P3 |
|---|---|
| Calculated formula | C26 H7 Cl2 F12 Hg3 Mo O2 P3 |
| SMILES | [cH]12[cH]3[cH]4[cH]5[cH]1[Mo]162345(C#[O])(C#[O])P2P1P62.c12c(c(c(c(c1F)F)F)F)[Hg]c1c(c(c(c(c1F)F)F)F)[Hg]c1c(c(c(c(c1F)F)F)F)[Hg]2.C(Cl)Cl |
| Title of publication | Supramolecular adducts based on weak interactions between the trimeric Lewis acid complex (perfluoro-ortho-phenylene)mercury and polypnictogen complexes. |
| Authors of publication | Fleischmann, Martin; Jones, James S.; Balázs, Gábor; Gabbaï, François P; Scheer, Manfred |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 35 |
| Pages of publication | 13742 - 13749 |
| a | 11.1294 ± 0.0002 Å |
| b | 11.55 ± 0.0002 Å |
| c | 14.1425 ± 0.0003 Å |
| α | 114.075 ± 0.002° |
| β | 104.952 ± 0.002° |
| γ | 91.314 ± 0.002° |
| Cell volume | 1586.58 ± 0.06 Å3 |
| Cell temperature | 123 ± 0.11 K |
| Ambient diffraction temperature | 123 ± 0.11 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 | 0.0269 |
| Residual factor for significantly intense reflections | 0.0264 |
| Weighted residual factors for significantly intense reflections | 0.0731 |
| Weighted residual factors for all reflections included in the refinement | 0.0743 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.249 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186379 (current) | 2016-09-10 | cif/ Updating files of 7039972, 7039973, 7039974, 7039975, 7039976, 7039977, 7039978, 7039979, 7039980, 7039981 Original log message: Adding full bibliography for 7039972--7039981.cif. |
7039972.cif |
| 184575 | 2016-07-21 | cif/ Adding structures of 7039972, 7039973, 7039974, 7039975, 7039976, 7039977, 7039978, 7039979, 7039980, 7039981 via cif-deposit CGI script. |
7039972.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.