Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4068547
Preview
Coordinates | 4068547.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H150 O7 Si26 Ti2 |
---|---|
Calculated formula | C50 H150 O7 Si26 Ti2 |
SMILES | C[Si]([Si](C)([Si@]1(O[Ti]23O[Si@]([Si]1(C)[Si@](C)(O[Ti]1(O2)O[Si@](C)([Si](C)([Si](C)(C)C)[Si](C)(C)C)[Si](C)([Si@@](O3)(C)[Si](C)([Si](C)(C)C)[Si](C)(C)C)[Si@@](O1)(C)[Si](C)([Si](C)(C)C)[Si](C)(C)C)[Si](C)([Si](C)(C)C)[Si](C)(C)C)(C)[Si]([Si](C)(C)C)(C)[Si](C)(C)C)C)[Si](C)(C)C)(C)C.C[Si]([Si](C)([Si@@]1(O[Ti]23O[Si@@]([Si]1(C)[Si@@](C)(O[Ti]1(O2)O[Si@@](C)([Si](C)([Si](C)(C)C)[Si](C)(C)C)[Si](C)([Si@](O3)(C)[Si](C)([Si](C)(C)C)[Si](C)(C)C)[Si@](O1)(C)[Si](C)([Si](C)(C)C)[Si](C)(C)C)[Si](C)([Si](C)(C)C)[Si](C)(C)C)(C)[Si]([Si](C)(C)C)(C)[Si](C)(C)C)C)[Si](C)(C)C)(C)C |
Title of publication | Synthesis and Structures of Titanium and Zirconium Trisiloxides |
Authors of publication | Krempner, Clemens; Jäger-Fiedler, Ulrike; Köckerling, Martin; Reinke, Helmut |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 1 |
Pages of publication | 382 |
a | 30.47 ± 0.02 Å |
b | 25 ± 0.01 Å |
c | 16.228 ± 0.009 Å |
α | 90° |
β | 117.6 ± 0.05° |
γ | 90° |
Cell volume | 10955 ± 12 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1315 |
Residual factor for significantly intense reflections | 0.0653 |
Weighted residual factors for significantly intense reflections | 0.1475 |
Weighted residual factors for all reflections included in the refinement | 0.1761 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4068547.html
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.