Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1500030
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1500030.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H54 Cu2 N14 O18 |
---|---|
Calculated formula | C36 H54 Cu2 N14 O18 |
SMILES | [Cu]12([n]3cccc4c3c3[n]2cccc3cc4)([OH][Cu]2([n]3cccc4ccc5ccc[n]2c5c34)([OH]1)[OH2])[OH2].O=C1N(C(=O)N(C)c2nn[n-]c12)C.O.O.O.O.O.O=C1N(C)c2nn[n-]c2C(=O)N1C.O.O.O.O.O |
Authors of publication | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas |
Journal of publication | Inorganic Chemistry Communications |
Year of publication | 2010 |
Journal volume | 13 |
Pages of publication | 399 - 403 |
a | 9.2352 ± 0.001 Å |
b | 11.433 ± 0.0013 Å |
c | 11.7995 ± 0.0013 Å |
α | 71.035 ± 0.002° |
β | 87.722 ± 0.002° |
γ | 77.265 ± 0.002° |
Cell volume | 1148.6 ± 0.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0479 |
Residual factor for significantly intense reflections | 0.0419 |
Weighted residual factors for significantly intense reflections | 0.1056 |
Weighted residual factors for all reflections included in the refinement | 0.1096 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
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/1500030.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.