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Information card for entry 4509168
Preview
Coordinates | 4509168.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H39 Cl Mn3 N3 O14 |
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Calculated formula | C30 H39 Cl Mn3 N3 O14 |
SMILES | C1(=[N]2O[Mn]34(Oc5c(C(=[N]4O[Mn]46(Oc7c(C(=[N]6O[Mn]2(Oc2c1cccc2)([O]34)[OH]C)CC)cccc7)[OH]C)CC)cccc5)[OH]C)CC.[O-]Cl(=O)(=O)=O |
Title of publication | Supramolecular Entanglement from Interlocked Molecular Nanomagnets |
Authors of publication | Stoumpos, Constantinos C.; Inglis, Ross; Karotsis, Georgios; Jones, Leigh F.; Collins, Anna; Parsons, Simon; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2009 |
Journal volume | 9 |
Journal issue | 1 |
Pages of publication | 24 |
a | 13.3784 ± 0.0003 Å |
b | 13.3784 ± 0.0003 Å |
c | 34.0617 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 5279.7 ± 0.3 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.0387 |
Residual factor for significantly intense reflections | 0.0288 |
Weighted residual factors for all reflections | 0.0679 |
Weighted residual factors for significantly intense reflections | 0.066 |
Weighted residual factors for all reflections included in the refinement | 0.0679 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.8547 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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