Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4114174
Preview
| Coordinates | 4114174.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2-Phenyl-1,4,5-tris(tri-tert-butylsilyl)-1,4,5-trigermabicyclo [2.1.0]pent-2-en-5-ylium tetrakis(pentafluorophenyl)borate |
|---|---|
| Formula | C68 H87 B F20 Ge3 Si3 |
| Calculated formula | C68 H87 B F20 Ge3 Si3 |
| SMILES | [Ge]12([Ge]3([Ge]41([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[C]2(=[CH]34)c1ccccc1)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C.[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F |
| Title of publication | 1,4,5-Trigermabicyclo[2.1.0]pent-2-en-5-ylium: The Isolable Bishomocyclopropenylium Ion Containing a Heavier Group 14 Element |
| Authors of publication | Yutaka Ishida; Akira Sekiguchi; Yoshio Kabe |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2003 |
| Journal volume | 125 |
| Pages of publication | 11468 - 11469 |
| a | 14.21 ± 0.0009 Å |
| b | 14.417 ± 0.0011 Å |
| c | 36.219 ± 0.002 Å |
| α | 88.679 ± 0.004° |
| β | 83.103 ± 0.004° |
| γ | 90.055 ± 0.004° |
| Cell volume | 7364.3 ± 0.8 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1465 |
| Residual factor for significantly intense reflections | 0.0802 |
| Weighted residual factors for significantly intense reflections | 0.1901 |
| Weighted residual factors for all reflections included in the refinement | 0.2235 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178912 (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 4/11/41. |
4114174.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4114174.cif |
| 67457 | 2012-09-26 | cif/ Adding structures of 4114174 via cif-deposit CGI script. |
4114174.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.