Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4080809
Preview
Coordinates | 4080809.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | tetra(mu~2~-bromo)bis(N,N,N-tris[2-(dimethylstibanyl)benzyl]azane)- tetracopper(I) |
---|---|
Formula | C54 H72 Br4 Cu4 N2 Sb6 |
Calculated formula | C54 H72 Br4 Cu4 N2 Sb6 |
SMILES | C[Sb]1(C)c2ccccc2CN2Cc3c(cccc3)[Sb](C)(C)[Cu]1([Sb](C)(c1ccccc1C2)C)[Br][Cu]12[Br][Cu]2([Br][Cu]23[Sb](C)(C)c4ccccc4CN(Cc4c(cccc4)[Sb]2(C)C)Cc2c(cccc2)[Sb]3(C)C)[Br]1 |
Title of publication | Synthesis and Reactions of a Hybrid Tristibine Ligand |
Authors of publication | Benjamin, Sophie L.; Levason, William; Reid, Gillian |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 9 |
Pages of publication | 2760 |
a | 17.908 ± 0.006 Å |
b | 14.592 ± 0.004 Å |
c | 26.275 ± 0.009 Å |
α | 90° |
β | 109.25 ± 0.008° |
γ | 90° |
Cell volume | 6482 ± 4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0398 |
Residual factor for significantly intense reflections | 0.0311 |
Weighted residual factors for significantly intense reflections | 0.065 |
Weighted residual factors for all reflections included in the refinement | 0.0683 |
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 | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4080809.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.