Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7216478
Preview
Coordinates | 7216478.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H36 Cu3 N6 O9 |
---|---|
Calculated formula | C36 H36 Cu3 N6 O9 |
SMILES | [Cu]12(OC3=[N]4[Cu]5(OC(=[N]24)c2c(O1)cccc2)OC1c2ccccc2O[Cu]2([N]=1[N]5=C(O2)c1c(c2c3cccc2)cccc1)[OH2])[NH]1CCOCC1.O=C(N(C)C)C |
Title of publication | Delicate modulated assembly of a new kind of trinuclear copper(ii) motif governed by N-containing agents |
Authors of publication | Wu, Shu-Ting; Tang, Hong-Liang; Lu, Shu-Mei; Ye, Qiao-Yan; Huang, Xi-He; Huang, Chang-Cang; Hu, Xiao-Lin; Zheng, Shou-Tian |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 42 |
Pages of publication | 9792 |
a | 25.985 ± 0.005 Å |
b | 13.713 ± 0.003 Å |
c | 24.798 ± 0.005 Å |
α | 90° |
β | 112.39 ± 0.03° |
γ | 90° |
Cell volume | 8170 ± 3 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 5 |
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 | 0.084 |
Residual factor for significantly intense reflections | 0.0746 |
Weighted residual factors for significantly intense reflections | 0.1692 |
Weighted residual factors for all reflections included in the refinement | 0.1755 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
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/7216478.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.