Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4332377
Preview
Coordinates | 4332377.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H29 Al N2 O |
---|---|
Calculated formula | C12 H29 Al N2 O |
SMILES | C[Al](C)(C)[NH]1CCOCCNCC(C1)(C)C |
Title of publication | Titanium(IV) and Zirconium(IV) Amido Complexes Derived from the Azaoxa Macrocycle 3,3-Dimethyl-1,5-diaza-8-oxacyclodecane |
Authors of publication | Porter, Robin M.; Danopoulos, Andreas A.; Reid, Gillian |
Journal of publication | Inorganic Chemistry |
Year of publication | 2006 |
Journal volume | 45 |
Journal issue | 16 |
Pages of publication | 6516 - 6522 |
a | 8.383 ± 0.005 Å |
b | 23.561 ± 0.016 Å |
c | 7.947 ± 0.0018 Å |
α | 90° |
β | 105.88 ± 0.03° |
γ | 90° |
Cell volume | 1509.7 ± 1.4 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.0603 |
Residual factor for significantly intense reflections | 0.0391 |
Weighted residual factors for significantly intense reflections | 0.0866 |
Weighted residual factors for all reflections included in the refinement | 0.0948 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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/4332377.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.