Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7036229
Preview
Coordinates | 7036229.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H25 N3 O6 Ti |
---|---|
Calculated formula | C25 H25 N3 O6 Ti |
SMILES | c12ccccc1C[N]1(CC[N]3([Ti]451([n]1c(C(=O)O4)cccc1C(=O)O5)(O2)Oc1ccccc1C3)C)C |
Title of publication | Synthesis and X-ray structure analysis of cytotoxic heptacoordinate sulfonamide salan titanium(iv)-bis-chelates. |
Authors of publication | Zhao, Tiankun; Grützke, Martin; Götz, Kathrin H; Druzhenko, Tetiana; Huhn, Thomas |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 37 |
Pages of publication | 16475 - 16485 |
a | 16.7824 ± 0.0013 Å |
b | 14.9183 ± 0.0009 Å |
c | 8.6437 ± 0.0007 Å |
α | 90° |
β | 91.497 ± 0.006° |
γ | 90° |
Cell volume | 2163.3 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0449 |
Residual factor for significantly intense reflections | 0.0332 |
Weighted residual factors for significantly intense reflections | 0.0893 |
Weighted residual factors for all reflections included in the refinement | 0.0916 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/7036229.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.