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Information card for entry 4105723
Preview
Coordinates | 4105723.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C74 H82 Br2 Cl16 Mn2 N12 Ni3 O14 |
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Calculated formula | C74 H82 Br2 Cl16 Mn2 N12 Ni3 O14 |
SMILES | c1c2c3ccccc3[O]3[Ni]4567[n]2n(c1)CC[O]1[Mn]28([n]9n(ccc9c9ccccc9O2)CC[O]8[Ni]281([n]1n(ccc1c1ccccc1[O]52)CC[OH]8)[O]7c1c(c2ccn([n]62)CC[O]2[Mn]56([n]7c(c8c(O6)cccc8)ccn7CC[O]5[Ni]5632[n]2n(ccc2c2ccccc2[O]46)CC[OH]5)([OH2])Br)cccc1)([OH2])Br.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl |
Title of publication | A New Family of 1D Exchange Biased Heterometal Single-Molecule Magnets: Observation of Pronounced Quantum Tunneling Steps in the Hysteresis Loops of Quasi-Linear {Mn2Ni3} Clusters |
Authors of publication | Animesh Das; Klaus Gieb; Yulia Krupskaya; Serhiy Demeshko; Sebastian Dechert; Rüdiger Klingeler; Vladislav Kataev; Bernd Büchner; Paul Müller; Franc Meyer |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 3433 - 3443 |
a | 13.2372 ± 0.0008 Å |
b | 13.2997 ± 0.0009 Å |
c | 14.6782 ± 0.0009 Å |
α | 91.803 ± 0.005° |
β | 112.666 ± 0.005° |
γ | 105.47 ± 0.005° |
Cell volume | 2271.8 ± 0.3 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.07 |
Residual factor for significantly intense reflections | 0.055 |
Weighted residual factors for significantly intense reflections | 0.1479 |
Weighted residual factors for all reflections included in the refinement | 0.156 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/4105723.html
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