Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7246336
Preview
Coordinates | 7246336.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C84 H112 N14 O60 Ti10 |
---|---|
Calculated formula | C84 H112 N14 O60 Ti10 |
Title of publication | Substituted benzoate-anchored decanuclear titanium-oxo clusters featuring an unprecedented defective double-cubane geometry |
Authors of publication | Pei, Xin-Yue; He, Ying; Wang, Jia-Yin; Wang, Hong-Yan; Bo, Qi-Bing |
Journal of publication | CrystEngComm |
Year of publication | 2023 |
Journal volume | 25 |
Journal issue | 11 |
Pages of publication | 1617 - 1625 |
a | 13.1367 ± 0.001 Å |
b | 16.9074 ± 0.0011 Å |
c | 17.9372 ± 0.0012 Å |
α | 107.392 ± 0.006° |
β | 107.891 ± 0.006° |
γ | 95.423 ± 0.006° |
Cell volume | 3541 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1707 |
Residual factor for significantly intense reflections | 0.0881 |
Weighted residual factors for significantly intense reflections | 0.2158 |
Weighted residual factors for all reflections included in the refinement | 0.268 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.937 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7246336.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.