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Information card for entry 4326488
Preview
Coordinates | 4326488.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H50 Cu F6 N2 O3 Sb |
---|---|
Calculated formula | C28 H50 Cu F6 N2 O3 Sb |
SMILES | [Cu]12(Oc3c(O1)cc(cc3C(C)(C)C)C(C)(C)C)[N]([C@H]1[C@H]([N]2(C)C)CCCC1)(C)C.O1CCCC1.[Sb](F)(F)(F)(F)([F-])F.[Cu]12(Oc3c(O1)cc(cc3C(C)(C)C)C(C)(C)C)[N]([C@@H]1[C@@H]([N]2(C)C)CCCC1)(C)C.O1CCCC1.[Sb](F)(F)(F)(F)([F-])F |
Title of publication | Tale of a Twist: Magnetic and Optical Switching in Copper(II) Semiquinone Complexes |
Authors of publication | Pratik Verma; John Weir; Liviu Mirica; T. Daniel P. Stack |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 9816 - 9825 |
a | 17.9232 ± 0.0017 Å |
b | 14.6868 ± 0.0014 Å |
c | 12.8923 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3393.7 ± 0.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0313 |
Residual factor for significantly intense reflections | 0.0277 |
Weighted residual factors for significantly intense reflections | 0.0669 |
Weighted residual factors for all reflections included in the refinement | 0.0688 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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