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Information card for entry 4327560
Preview
Coordinates | 4327560.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H80 B2 Co2 N16 O4 |
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Calculated formula | C50 H80 B2 Co2 N16 O4 |
SMILES | [BH]12n3c(cc(C(C)C)[n]3[Co]3([n]4n1c(C)cc4C(C)C)(OO[Co]14(OO3)[n]3c(cc(C)n3[BH](n3c(cc(C(C)C)[n]13)C)n1c(cc(C(C)C)[n]41)C)C(C)C)[n]1c(cc(C)n21)C(C)C)C.C(#N)C.C(#N)C.C(#N)C.C(#N)C |
Title of publication | Single-Molecule Magnets: Jahn-Teller Isomerism and the Origin of Two Magnetization Relaxation Processes in Mn12 Complexes |
Authors of publication | Sheila M. J. Aubin; Ziming Sun; Hilary J. Eppley; Evan M. Rumberger; Ilia A. Guzei; Kirsten Folting; Peter K. Gantzel; Arnold L. Rheingold; George Christou; David N. Hendrickson |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Pages of publication | 2127 - 2146 |
a | 13.256 ± 0.006 Å |
b | 13.868 ± 0.004 Å |
c | 16.463 ± 0.006 Å |
α | 90° |
β | 96.35 ± 0.03° |
γ | 90° |
Cell volume | 3008 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 222 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1011 |
Residual factor for significantly intense reflections | 0.0563 |
Weighted residual factors for all reflections | 0.137 |
Weighted residual factors for significantly intense reflections | 0.1238 |
Goodness-of-fit parameter for all reflections | 1.35 |
Goodness-of-fit parameter for significantly intense reflections | 1.55 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4327560.html
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Users of the data should acknowledge the original authors of the
structural data.