Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2219503
Preview
Coordinates | 2219503.cif |
---|---|
Structure factors | 2219503.hkl |
Original IUCr paper | HTML |
Chemical name | Bis[μ-1,3-bis(4,5-dihydroimidazol-2-yl)benzene-κ^2^<i>N</i>:<i>N</i>']bis[dichloridozinc(II)] <i>N</i>,<i>N</i>'-dimethylformamide disolvate |
---|---|
Formula | C30 H42 Cl4 N10 O2 Zn2 |
Calculated formula | C30 H42 Cl4 N10 O2 Zn2 |
SMILES | C1C[N]2=C(c3cccc(c3)C3NCC[N]=3[Zn]([N]3CCNC=3c3cccc(c3)C3NCC[N]=3[Zn]2(Cl)Cl)(Cl)Cl)N1.N(C)(C=O)C.N(C)(C)C=O |
Title of publication | Bis[μ-1,3-bis(4,5-dihydroimidazol-2-yl)benzene-κ^2^<i>N</i>:<i>N</i>']bis[dichloridozinc(II)] <i>N</i>,<i>N</i>'-dimethylformamide disolvate |
Authors of publication | Cheng, Lin; Zhang, Ya-Wen; Sun, Yan-Yan; Zhang, Gong |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 10 |
Pages of publication | m1236 |
a | 8.1774 ± 0.0011 Å |
b | 8.5032 ± 0.0012 Å |
c | 27.097 ± 0.004 Å |
α | 90° |
β | 92.89 ± 0.002° |
γ | 90° |
Cell volume | 1881.8 ± 0.5 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0394 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.0846 |
Weighted residual factors for all reflections included in the refinement | 0.0871 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
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/2219503.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.