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Information card for entry 4325026
Preview
Coordinates | 4325026.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H36 Cu F12 N8 O8 |
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Calculated formula | C32 H36 Cu F12 N8 O8 |
SMILES | [Cu]12([n]3cc(n(c3)C)C3=N(C(C)(C)C([N]3=O)(C)C)=O)([n]3cc(n(c3)C)C3=N(C(C)(C)C([N]3=O)(C)C)=O)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O1)[O]=C(C(F)(F)F)C=C(C(F)(F)F)O2 |
Title of publication | "Jumping Crystals": Oxygen-Evolving Metal-Nitroxide Complexes |
Authors of publication | Victor I. Ovcharenko; Sergei V. Fokin; Elena Yu. Fursova; Olga V. Kuznetsova; Eugene V. Tretyakov; Galina V. Romanenko; Artem S. Bogomyakov |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 4307 - 4312 |
a | 7.0884 ± 0.0013 Å |
b | 11.475 ± 0.002 Å |
c | 12.945 ± 0.002 Å |
α | 102.958 ± 0.004° |
β | 99.504 ± 0.004° |
γ | 100.302 ± 0.004° |
Cell volume | 986.2 ± 0.3 Å3 |
Cell temperature | 305 ± 1 K |
Ambient diffraction temperature | 305 ± 1 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0566 |
Residual factor for significantly intense reflections | 0.0495 |
Weighted residual factors for significantly intense reflections | 0.1306 |
Weighted residual factors for all reflections included in the refinement | 0.1381 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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