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Information card for entry 4346820
Preview
Coordinates | 4346820.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | bis((mu2-2,2',2''-Nitrilotriethanol)-(mu2-furan-2-carboxylato)-(furan-2-carboxylato-O))-tri-copper(II) |
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Formula | C32 H40 Cu3 N2 O18 |
Calculated formula | C32 H40 Cu3 N2 O18 |
SMILES | C1(c2ccco2)=[O][Cu]2([O]3CC[N]4(CCO)CC[OH][Cu]34(O1)OC(=O)c1occc1)[O]1CC[N]3(CCO)CC[OH][Cu]13([O]=C(c1ccco1)O2)OC(=O)c1occc1 |
Title of publication | Metal-Metal Interactions in Trinuclear Copper(II) Complexes [Cu3(RCOO)4(H2TEA)2] and Binuclear [Cu2(RCOO)2(H2TEA)2]. Syntheses and Combined Structural, Magnetic, High-Field Electron Paramagnetic Resonance, and Theoretical Studies. |
Authors of publication | Ozarowski, Andrew; Calzado, Carmen J.; Sharma, Raj Pal; Kumar, Santosh; Jezierska, Julia; Angeli, Celestino; Spizzo, Federico; Ferretti, Valeria |
Journal of publication | Inorganic chemistry |
Year of publication | 2015 |
Journal volume | 54 |
Journal issue | 24 |
Pages of publication | 11916 - 11934 |
a | 8.579 ± 0.0002 Å |
b | 9.4128 ± 0.0002 Å |
c | 11.6658 ± 0.0003 Å |
α | 97.114 ± 0.001° |
β | 99.975 ± 0.001° |
γ | 92.867 ± 0.001° |
Cell volume | 918.19 ± 0.04 Å3 |
Cell temperature | 295 K |
Ambient diffraction temperature | 295 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 | 0.0526 |
Residual factor for significantly intense reflections | 0.0363 |
Weighted residual factors for significantly intense reflections | 0.099 |
Weighted residual factors for all reflections included in the refinement | 0.1081 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
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/4346820.html
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