Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2014747
Preview
Coordinates | 2014747.cif |
---|---|
Structure factors | 2014747.hkl |
Original IUCr paper | HTML |
Chemical name | [μ-N,N'-Bis(2-aminoethyl)oxamidato(2-)]bis[(4,5-diazafluoren-9-one)perchloratocopper(II)] 4,5-diazafluoren-9-one disolvate |
---|---|
Formula | C50 H36 Cl2 Cu2 N12 O14 |
Calculated formula | C50 H36 Cl2 Cu2 N12 O14 |
SMILES | c12c(ccc[n]1[Cu]13[N](CC[NH2]1)=C1C(=[N]4[Cu](O1)([n]1c5c(ccc1)C(=O)c1cccnc51)[NH2]CC4)O3)C(=O)c1c2nccc1.Cl(=O)(=O)(=O)[O-].n1c2c(ccc1)C(=O)c1c2nccc1.Cl(=O)(=O)(=O)[O-].n1c2c(ccc1)C(=O)c1cccnc21 |
Title of publication | [μ-<i>N</i>,<i>N</i>'-Bis(2-aminoethyl)oxamidato(2‒)]bis[(4,5-diazafluoren-9-one)perchloratocopper(II)] 4,5-diazafluoren-9-one disolvate |
Authors of publication | Li, Yan-Ping; Yang, Pin; Huang, Zi-Xiang; Xie, Fu-Xin |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 1 |
Pages of publication | m7 - m9 |
a | 26.5955 ± 0.0001 Å |
b | 11.4267 ± 0.0003 Å |
c | 16.5915 ± 0.0004 Å |
α | 90° |
β | 92.053 ± 0.001° |
γ | 90° |
Cell volume | 5038.9 ± 0.18 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1004 |
Residual factor for significantly intense reflections | 0.0689 |
Weighted residual factors for significantly intense reflections | 0.1685 |
Weighted residual factors for all reflections included in the refinement | 0.1984 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2014747.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.