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Information card for entry 7001212
Preview
Coordinates | 7001212.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C72 H68 Mn6 N14 O20 |
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Calculated formula | C60 H50 Mn6 N8 O20 |
SMILES | [O]12[Mn]345O[N]6=Cc7c(O[Mn]26([N]#CC)(O[N]2[Mn]61([O]([Mn]189%10[O]%11[Mn]%12(Oc%13ccccc%13C=[N]%12[O]68)(O[N]6[Mn]%11(O[N]1=Cc1c(cccc1)O9)(Oc1ccccc1C=6)[OH2])[O]=C(c1ccccc1)O%10)[N]5=Cc1c(cccc1)O4)([O]=C(c1ccccc1)O3)Oc1ccccc1C=2)[OH2])cccc7.C(#N)C |
Title of publication | Attempting to understand (and control) the relationship between structure and magnetism in an extended family of Mn6 single-molecule magnets |
Authors of publication | Inglis, Ross; Jones, Leigh F.; Milios, Constantinos J.; Datta, Saiti; Collins, Anna; Parsons, Simon; Wernsdorfer, Wolfgang; Hill, Stephen; Perlepes, Spyros P.; Piligkos, Stergios; Brechin, Euan K. |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 18 |
Pages of publication | 3403 - 3412 |
a | 12.188 ± 0.0003 Å |
b | 12.2015 ± 0.0003 Å |
c | 13.3261 ± 0.0003 Å |
α | 101.143 ± 0.001° |
β | 96.929 ± 0.001° |
γ | 106.861 ± 0.001° |
Cell volume | 1827.56 ± 0.08 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 | 0.0478 |
Residual factor for significantly intense reflections | 0.0358 |
Weighted residual factors for all reflections | 0.0883 |
Weighted residual factors for significantly intense reflections | 0.085 |
Weighted residual factors for all reflections included in the refinement | 0.0883 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.8895 |
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/7001212.html
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