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Information card for entry 7703743
Preview
Coordinates | 7703743.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H36 N2 Ni O8 S |
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Calculated formula | C31 H36 N2 Ni O8 S |
SMILES | [Ni]123Oc4cc(ccc4C(=[N]2CCC[N]3=C(c2ccc(O)cc2O1)c1ccccc1)c1ccccc1)O.S(=O)(C)C.O.O.O |
Title of publication | A new class of quadruplex DNA-binding nickel Schiff base complexes. |
Authors of publication | Pham, Son Q. T.; Assadawi, Nawal; Wells, Jadon; Sophocleous, Reece A.; Davis, Kimberley J.; Yu, Haibo; Sluyter, Ronald; Dillon, Carolyn T.; Kelso, Celine; Beck, Jennifer L.; Willis, Anthony C.; Richardson, Christopher; Ralph, Stephen F. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2020 |
Journal volume | 49 |
Journal issue | 15 |
Pages of publication | 4843 - 4860 |
a | 12.8742 ± 0.0001 Å |
b | 9.3175 ± 0.0001 Å |
c | 25.5985 ± 0.0002 Å |
α | 90° |
β | 98.479 ± 0.0007° |
γ | 90° |
Cell volume | 3037.11 ± 0.05 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0313 |
Residual factor for significantly intense reflections | 0.0298 |
Weighted residual factors for all reflections | 0.0794 |
Weighted residual factors for significantly intense reflections | 0.0783 |
Weighted residual factors for all reflections included in the refinement | 0.0794 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9963 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7703743.html
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