Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2221372
Preview
Coordinates | 2221372.cif |
---|---|
Structure factors | 2221372.hkl |
Original IUCr paper | HTML |
Chemical name | Dichlorido-2κ^2^<i>Cl</i>-{μ-6,6'-dimethoxy-2,2'-[propane-1,3- diylbis(nitrilomethylidyne)]diphenolato- 1κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^: 2κ^2^<i>O</i>^1^,<i>O</i>^1'^}copper(II)zinc(II) |
---|---|
Formula | C19 H20 Cl2 Cu N2 O4 Zn |
Calculated formula | C19 H20 Cl2 Cu N2 O4 Zn |
SMILES | [Zn]1(Cl)(Cl)[O]2[Cu]34[N](=Cc5c(c(OC)ccc5)[O]13)CCC[N]4=Cc1c2c(OC)ccc1 |
Title of publication | Dichlorido-2κ^2^<i>Cl</i>-{μ-6,6'-dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato-1κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^:2κ^2^<i>O</i>^1^,<i>O</i>^1'^}copper(II)zinc(II) |
Authors of publication | Liu, Qingyun; Ge, Shengsong; Cui, Guangwen |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 4 |
Pages of publication | m359 |
a | 13.0181 ± 0.0009 Å |
b | 10.8503 ± 0.0008 Å |
c | 14.7758 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2087.1 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 7 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0355 |
Residual factor for significantly intense reflections | 0.0287 |
Weighted residual factors for significantly intense reflections | 0.0707 |
Weighted residual factors for all reflections included in the refinement | 0.0741 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2221372.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.