Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4306789
Preview
Coordinates | 4306789.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (Hob)Ti(OCH2CMe2CO2) |
---|---|
Chemical name | (Biphenyl-2'-(4''-p-tolyl-2'',4''-butanedionato)-2-(N-methylacetohydroxamato)) (2,2-dimethyl-3-oxypropionato)titanium(IV) |
Formula | C31 H31 N O7 Ti |
Calculated formula | C31 H31 N O7 Ti |
SMILES | [Ti]1234(OC(=CC(=[O]1)c1ccc(cc1)C)Cc1c(cccc1)c1c(CC(=[O]2)N(O3)C)cccc1)OC(=O)C(CO4)(C)C |
Title of publication | Tetradentate Bis(hydroxamate) and Hydroxamate-Diketonate Ligands and Their Titanium(IV) Complexes |
Authors of publication | Natcharee Kongprakaiwoot; Bruce C. Noll; Seth N. Brown |
Journal of publication | Inorganic Chemistry |
Year of publication | 2008 |
Journal volume | 47 |
Pages of publication | 11902 - 11909 |
a | 14.5051 ± 0.0006 Å |
b | 11.2042 ± 0.0004 Å |
c | 16.9288 ± 0.0006 Å |
α | 90° |
β | 95.254 ± 0.002° |
γ | 90° |
Cell volume | 2739.68 ± 0.18 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.041 |
Residual factor for significantly intense reflections | 0.034 |
Weighted residual factors for significantly intense reflections | 0.0965 |
Weighted residual factors for all reflections included in the refinement | 0.1065 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
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/4306789.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.