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Information card for entry 7014302
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Coordinates | 7014302.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H54 Cu6 N18 O32 |
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Calculated formula | C60 H54 Cu6 N18 O32 |
SMILES | [n]12ccccc1c1[n]([Cu]342[OH][Cu]2([OH]3[Cu]35([n]6ccccc6c6[n]3cccc6)[OH]3[Cu]67([n]8c(c9[n]6cccc9)cccc8)[OH][Cu]6([n]8c(cccc8)c8cccc[n]68)([OH]7[Cu]63([n]3ccccc3c3[n]6cccc3)[OH]45)ON(=O)=O)(ON(=O)=O)[n]3c(cccc3)c3cccc[n]23)cccc1.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O |
Title of publication | New Cu(II) complexes based on the hydroxo-bridged dinuclear [Cu(OH)2Cu] units: step-like di- and trimerizations of [Cu(OH)2Cu] units. |
Authors of publication | Zheng, Yue-Qing; Cheng, De-Yi; Liu, Bin-Bin; Huang, Wen-Xiang |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 1 |
Pages of publication | 277 - 286 |
a | 10.9 ± 0.002 Å |
b | 11.965 ± 0.002 Å |
c | 15.477 ± 0.003 Å |
α | 98.08 ± 0.03° |
β | 108.35 ± 0.03° |
γ | 94.36 ± 0.03° |
Cell volume | 1881.2 ± 0.7 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 | 0.1175 |
Residual factor for significantly intense reflections | 0.0754 |
Weighted residual factors for significantly intense reflections | 0.2368 |
Weighted residual factors for all reflections included in the refinement | 0.2722 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
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/7014302.html
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