Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4326313
Preview
Coordinates | 4326313.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | complex1 |
---|---|
Formula | C36 H42 Cl2 O P2 Zn |
Calculated formula | C36 H42 Cl2 O P2 Zn |
SMILES | [Zn]1(Cl)(Cl)[P](C(C)C)(C(C)C)c2cccc(c2)c2cccc3c2oc2c3cccc2c2cccc([P]1(C(C)C)C(C)C)c2 |
Title of publication | First-Row Transition-Metal Chloride Complexes of the Wide Bite-Angle DiphosphineiPrDPDBFphos and Reactivity Studies of Monovalent Nickel |
Authors of publication | Elodie E. Marlier; Stephen J. Tereniak; Keying Ding; Jenna E. Mulliken; Connie C. Lu |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 9290 - 9299 |
a | 9.772 ± 0.003 Å |
b | 10.024 ± 0.003 Å |
c | 17.882 ± 0.006 Å |
α | 80.286 ± 0.005° |
β | 75.748 ± 0.005° |
γ | 85.834 ± 0.005° |
Cell volume | 1672.5 ± 0.9 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0712 |
Residual factor for significantly intense reflections | 0.0428 |
Weighted residual factors for significantly intense reflections | 0.0959 |
Weighted residual factors for all reflections included in the refinement | 0.1083 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/4326313.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.