Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7006976
Preview
Coordinates | 7006976.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H45 Cl2 N5 Zn |
---|---|
Calculated formula | C41 H45 Cl2 N5 Zn |
SMILES | c1(c(cccc1C(C)C)C(C)C)/N=C/c1[n]2c(ccc1)c1[n]3[Zn]2([n]2c(/C=N/c4c(cccc4C(C)C)C(C)C)cccc2c3ccc1)(Cl)Cl |
Title of publication | Mono- vs. bi-metallic assembly on a bulky bis(imino)terpyridine framework: a combined experimental and theoretical study. |
Authors of publication | Champouret, Yohan D. M.; Maréchal, Jean-Didier; Dadhiwala, Ishaq; Fawcett, John; Palmer, Donna; Singh, Kuldip; Solan, Gregory A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 19 |
Pages of publication | 2350 - 2361 |
a | 15.044 ± 0.007 Å |
b | 15.044 ± 0.007 Å |
c | 18.659 ± 0.012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4223 ± 4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 94 |
Hermann-Mauguin space group symbol | P 42 21 2 |
Hall space group symbol | P 4n 2n |
Residual factor for all reflections | 0.0959 |
Residual factor for significantly intense reflections | 0.0807 |
Weighted residual factors for significantly intense reflections | 0.2079 |
Weighted residual factors for all reflections included in the refinement | 0.2221 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
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/7006976.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.