Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4115222
Preview
Coordinates | 4115222.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H38 Cl3 Cu3 N4 S2 |
---|---|
Calculated formula | C24 H38 Cl3 Cu3 N4 S2 |
SMILES | [Cu]123[Cl][Cu]45[S]([S]1CC[N]2(Cc1[n]3c(ccc1)C)C(C)C)CC[N]4(Cc1[n]5c(ccc1)C)C(C)C.[Cu](Cl)[Cl-] |
Title of publication | Interconversion between Bis(μ-thiolato)dicopper(II) and Disulfide-Bridged Dicopper(I) Complexes Mediated by Chloride Ion |
Authors of publication | Yoshiki Ueno; Yoshimitsu Tachi; Shinobu Itoh |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2002 |
Journal volume | 124 |
Pages of publication | 12428 - 12429 |
a | 12.166 ± 0.0003 Å |
b | 12.6181 ± 0.0003 Å |
c | 12.7139 ± 0.0001 Å |
α | 60.945 ± 0.005° |
β | 64.953 ± 0.001° |
γ | 67.459 ± 0.002° |
Cell volume | 1506.24 ± 0.08 Å3 |
Cell temperature | 153.1 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 significantly intense reflections | 0.035 |
Weighted residual factors for all reflections included in the refinement | 0.06 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4115222.cif |
120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4115222.cif |
68665 | 2012-11-14 | cif/ Adding structures of 4115222 via cif-deposit CGI script. |
4115222.cif |
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.