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Information card for entry 7034707
Preview
Coordinates | 7034707.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C69 H108 Cu8 N8 O29 |
---|---|
Calculated formula | C64 H88 Cu8 N8 O24 |
SMILES | c12[O]3[Cu]456[N]7(Cc1cc(cc2C(C)=[N]1[Cu]23([O]3CC[N]89Cc%10c%11[O]([Cu]%12([N](=C(c%11cc(c%10)C)C)O[Cu]%10%11%13[N](Cc%14c%15c(cc(c%14)C)C(=[N]%14[Cu]%16([O]%11%15)([O]%11CC[N]%15%17Cc%18c%19[O]([Cu]([N](O6)=C(c%19cc(c%18)C)C)([O]4CC7)OC(=O)C)[Cu]%11%17([OH]CC%15)O%14)[O]=C(C)O%16)C)(CC[O]%12%10)CC[OH]%13)OC(=O)C)[Cu]38(O1)[OH]CC9)[O]=C(C)O2)C)CC[OH]5 |
Title of publication | Turning a "useless" ligand into a "useful" ligand: a magneto-structural study of an unusual family of Cu(II) wheels derived from functionalised phenolic oximes. |
Authors of publication | Frost, Jamie M.; Stirling, Robert J.; Sanz, Sergio; Vyas, Nidhi; Nichol, Gary S.; Rajaraman, Gopalan; Brechin, Euan K. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 22 |
Pages of publication | 10177 - 10187 |
a | 37.5708 ± 0.00016 Å |
b | 37.5708 ± 0.00016 Å |
c | 37.5708 ± 0.00016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 53033.6 ± 0.4 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 5 |
Space group number | 222 |
Hermann-Mauguin space group symbol | P n -3 n |
Hall space group symbol | -P 4a 2bc 3 |
Residual factor for all reflections | 0.0575 |
Residual factor for significantly intense reflections | 0.0467 |
Weighted residual factors for significantly intense reflections | 0.1303 |
Weighted residual factors for all reflections included in the refinement | 0.1404 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7034707.html
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