Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4312382
Preview
Coordinates | 4312382.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Bis(4-N-methylimino-2-methylamino-2-pentene)bis(ethylamido) zirconium |
---|---|
Formula | C22 H46 N6 Zr |
Calculated formula | C22 H46 N6 Zr |
SMILES | [Zr]12([N](=C(C=C(N1C)C)C)C)([N](=C(C=C(N2C)C)C)C)(N(CC)CC)N(CC)CC |
Title of publication | Volatile β-Ketoiminato- and β-Diketiminato-Based Zirconium Complexes as Potential MOCVD Precursors |
Authors of publication | Pier Luigi Franceschini; Marcus Morstein; Heinz Berke; Helmut W. Schmalle |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 7273 - 7282 |
a | 9.3361 ± 0.0005 Å |
b | 14.3615 ± 0.0007 Å |
c | 19.6856 ± 0.0013 Å |
α | 90° |
β | 99.084 ± 0.007° |
γ | 90° |
Cell volume | 2606.3 ± 0.3 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0747 |
Residual factor for significantly intense reflections | 0.0636 |
Weighted residual factors for significantly intense reflections | 0.1934 |
Weighted residual factors for all reflections included in the refinement | 0.1978 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
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/4312382.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.