Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1551459
Preview
Coordinates | 1551459.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H25 Br8 Cl2 F K O10 Si |
---|---|
Calculated formula | C25 H25 Br8 Cl2 F K O10 Si |
SMILES | Brc1c2O[Si]3([F][K]45678([O]9CC[O]4CC[O]5CC[O]6CC[O]7CC[O]8CC9)[Cl]CCl)(Oc2c(Br)c(Br)c1Br)Oc1c(O3)c(Br)c(Br)c(Br)c1Br |
Title of publication | Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity |
Authors of publication | Hartmann, Deborah; Schädler, Marcel; Greb, Lutz |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 11.428 ± 0.002 Å |
b | 12.75 ± 0.003 Å |
c | 15.069 ± 0.003 Å |
α | 71.12 ± 0.03° |
β | 71.13 ± 0.03° |
γ | 69.23 ± 0.03° |
Cell volume | 1887.7 ± 0.8 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 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 | 0.0911 |
Residual factor for significantly intense reflections | 0.0421 |
Weighted residual factors for significantly intense reflections | 0.0738 |
Weighted residual factors for all reflections included in the refinement | 0.0855 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
216033 (current) | 2019-06-18 | cif/ Adding structures of 1551458, 1551459, 1551460, 1551461, 1551462, 1551463, 1551464, 1551465, 1551466, 1551467, 1551468, 1551469 via cif-deposit CGI script. |
1551459.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.