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Information card for entry 7700451
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Coordinates | 7700451.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H12 Cl3 Cu2 N12 |
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Calculated formula | C16 H12 Cl3 Cu2 N12 |
Title of publication | Versatile coordination behaviour of the chloro-tetrazine-picolylamine ligand: mixed-valence binuclear Cu(i)/Cu(ii) complexes. |
Authors of publication | Stetsiuk, Oleh; Petrusenko, Svitlana R.; Sorace, Lorenzo; Lupan, Alexandru; Attia, Amr A. A.; Kokozay, Vladimir N.; El-Ghayoury, Abdelkrim; Avarvari, Narcis |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2019 |
Journal volume | 48 |
Journal issue | 31 |
Pages of publication | 11966 - 11977 |
a | 13.5525 ± 0.0003 Å |
b | 11.4392 ± 0.0002 Å |
c | 13.7445 ± 0.0003 Å |
α | 90° |
β | 104.474 ± 0.002° |
γ | 90° |
Cell volume | 2063.18 ± 0.08 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0323 |
Residual factor for significantly intense reflections | 0.0281 |
Weighted residual factors for significantly intense reflections | 0.0776 |
Weighted residual factors for all reflections included in the refinement | 0.0799 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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