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Information card for entry 4313181
Preview
Coordinates | 4313181.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H19 Cu N5 O6 |
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Calculated formula | C19 H19 Cu N5 O6 |
SMILES | [Cu]12(ON(=O)=O)(ON(=O)=O)[n]3c(C)cccc3C(c3[n]1c(C)ccc3)c1[n]2c(C)ccc1 |
Title of publication | Structural Modulation of Cu(I) and Cu(II) Complexes of Sterically Hindered Tripyridine Ligands by the Bridgehead Alkyl Groups |
Authors of publication | Masahito Kodera; Yuuji Kajita; Yoshimitsu Tachi; Koji Kano |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 1193 - 1203 |
a | 8.57 ± 0.002 Å |
b | 13.921 ± 0.002 Å |
c | 16.878 ± 0.001 Å |
α | 90° |
β | 97.3 ± 0.01° |
γ | 90° |
Cell volume | 1997.3 ± 0.6 Å3 |
Cell temperature | 296.2 K |
Ambient diffraction temperature | 296.2 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 | 0.037 |
Residual factor for significantly intense reflections | 0.037 |
Weighted residual factors for all reflections | 0.038 |
Weighted residual factors for all reflections included in the refinement | 0.038 |
Goodness-of-fit parameter for all reflections | 0.741 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.74 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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