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Information card for entry 4301819
Preview
Coordinates | 4301819.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C70 H144 Cl12 Cu N4 O12 Re3 |
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Calculated formula | C70 H144 Cl12 Cu N4 O12 Re3 |
SMILES | [Re]1(Cl)(Cl)(Cl)(Cl)[O]=C2C(=[O][Cu]34(O2)([O]=C2C(O3)=[O][Re](Cl)(Cl)(Cl)(Cl)O2)[O]=C2C(O4)=[O][Re](Cl)(Cl)(Cl)(Cl)O2)O1.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC |
Title of publication | Heterotetranuclear Oxalato-Bridged ReIV3MII (M = Mn, Fe, Co, Ni, Cu) Complexes: A New Example of a Single-Molecule Magnet (M = Ni) |
Authors of publication | José Martínez-Lillo; Donatella Armentano; Giovanni De Munno; Wolfgang Wernsdorfer; Juan Modesto Clemente-Juan; J. Krzystek; Francesc Lloret; Miguel Julve; Juan Faus |
Journal of publication | Inorganic Chemistry |
Year of publication | 2009 |
Journal volume | 48 |
Pages of publication | 3027 - 3038 |
a | 10.0463 ± 0.0014 Å |
b | 19.328 ± 0.004 Å |
c | 25.511 ± 0.005 Å |
α | 83.913 ± 0.005° |
β | 83.705 ± 0.006° |
γ | 80.444 ± 0.005° |
Cell volume | 4835.9 ± 1.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0998 |
Residual factor for significantly intense reflections | 0.0604 |
Weighted residual factors for significantly intense reflections | 0.1524 |
Weighted residual factors for all reflections included in the refinement | 0.1891 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/4301819.html
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