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Information card for entry 2200354
Preview
Coordinates | 2200354.cif |
---|---|
Structure factors | 2200354.hkl |
Original IUCr paper | HTML |
Common name | [Cu(OH)~4~(C~12~H~8~N~2)~4~(H~2~O)~4~(NO~3~)~4~] |
---|---|
Chemical name | Diaquadi-μ~3~-hydroxo-di-μ~2~-hydroxo-tetraphenanthrolinetetracopper(II) tetranitrate dihydrate |
Formula | C48 H36 Cu4 N12 O20 |
Calculated formula | C48 H36 Cu4 N12 O20 |
SMILES | [n]12cccc3ccc4ccc[n]([Cu]51([OH2])[OH][Cu]16([n]7cccc8ccc9ccc[n]1c9c78)[OH]5[Cu]15([n]7cccc8ccc9ccc[n]1c9c78)[OH][Cu]1([n]7cccc8ccc9ccc[n]1c9c78)([OH2])[OH]65)c4c23.N(=O)(=O)[O-].N(=O)(=O)[O-].O.N(=O)(=O)[O-].N(=O)(=O)[O-].O |
Title of publication | A tetranuclear copper complex, [Cu~4~(μ~3~-OH)~2~(μ~2~-OH)~2~(phen)~4~(H~2~O)~2~](NO~3~)~4~·2H~2~O |
Authors of publication | Chuanpeng Cui; Jingcao Dai; Limin Wu; Wenxin Du; Xintao Wu |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2001 |
Journal volume | 57 |
Journal issue | 5 |
Pages of publication | m198 - m200 |
a | 10.1504 ± 0.0001 Å |
b | 11.9299 ± 0.0003 Å |
c | 12.6337 ± 0.0001 Å |
α | 111.073 ± 0.001° |
β | 90.906 ± 0.002° |
γ | 111.218 ± 0.002° |
Cell volume | 1311.91 ± 0.04 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1261 |
Residual factor for significantly intense reflections | 0.0688 |
Weighted residual factors for all reflections included in the refinement | 0.1296 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.392 |
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/2200354.html
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