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Information card for entry 7040021
Preview
Coordinates | 7040021.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H27 N5 Ni O4 |
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Calculated formula | C18 H27 N5 Ni O4 |
SMILES | [Ni]123N(c4c(cccc4)N1C(=O)C(=O)N3C)C(=O)C(=[N]2C)OCC.C[N+](C)(C)C |
Title of publication | Nucleophilic reactivity and electrocatalytic reduction of halogenated organic compounds by nickel o-phenylenedioxamidate complexes. |
Authors of publication | Das, Siva Prasad; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 34 |
Pages of publication | 13556 - 13564 |
a | 25.97 ± 0.003 Å |
b | 8.6558 ± 0.0007 Å |
c | 18.0823 ± 0.0017 Å |
α | 90° |
β | 105.855 ± 0.003° |
γ | 90° |
Cell volume | 3910.1 ± 0.7 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1674 |
Residual factor for significantly intense reflections | 0.0668 |
Weighted residual factors for significantly intense reflections | 0.1329 |
Weighted residual factors for all reflections included in the refinement | 0.1688 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
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/7040021.html
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