Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7101645
Preview
Coordinates | 7101645.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H51 Cu3 Li |
---|---|
Calculated formula | C39 H51 Cu3 Li |
SMILES | [Cu]12[Cu]3([Cu]([c]43c(cc(cc4C)C)C)[c]34[c]5([Li]6789%10%11%12%133([c]32[c]%10([cH]9[c]8([cH]7[c]63C)C)C)[c]4([cH]%11[c]%12([cH]5%13)C)C)C)[c]21c(cc(cc2C)C)C.CCCCCC |
Title of publication | Models for the reactive states of homocuprates: syntheses, structures and reactivities of [Cu2Li2Mes4] and [Cu3LiMes4]. |
Authors of publication | Davies, Robert P; Hornauer, Stefan; White, Andrew J P |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2007 |
Journal issue | 3 |
Pages of publication | 304 - 306 |
a | 17.3561 ± 0.0018 Å |
b | 28.142 ± 0.002 Å |
c | 15.7048 ± 0.0011 Å |
α | 90° |
β | 111.095 ± 0.008° |
γ | 90° |
Cell volume | 7156.6 ± 1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
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 | 0.149 |
Residual factor for significantly intense reflections | 0.0364 |
Weighted residual factors for significantly intense reflections | 0.0501 |
Weighted residual factors for all reflections included in the refinement | 0.058 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.593 |
Diffraction radiation wavelength | 1.54248 Å |
Diffraction radiation type | CuKα |
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/7101645.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.