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Information card for entry 4087926
Preview
Coordinates | 4087926.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H24 Cl N7 Ni O4 |
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Calculated formula | C25 H24 Cl N7 Ni O4 |
SMILES | [Ni]123c4c5cccc4N(c4[n]1c(ccc4)N(C)c1cccc([n]21)N(C)c1cccc([n]31)N5C)C.Cl(=O)(=O)(=O)[O-] |
Title of publication | Macrocyclic Aryl‒Nickel(II) Complexes: Synthesis, Structure, and Reactivity Studies |
Authors of publication | Yang, Chi; Wu, Wen-Di; Zhao, Liang; Wang, Mei-Xiang |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 20 |
Pages of publication | 5167 |
a | 13.884 ± 0.003 Å |
b | 8.6037 ± 0.0017 Å |
c | 20.772 ± 0.004 Å |
α | 90° |
β | 108.36 ± 0.03° |
γ | 90° |
Cell volume | 2355 ± 0.9 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.0937 |
Residual factor for significantly intense reflections | 0.0806 |
Weighted residual factors for significantly intense reflections | 0.1732 |
Weighted residual factors for all reflections included in the refinement | 0.1798 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.231 |
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/4087926.html
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