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Information card for entry 7016805
Preview
Coordinates | 7016805.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H27 N2 Ni O2 P |
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Calculated formula | C36 H27 N2 Ni O2 P |
SMILES | c1c(cccc1)[P](c1ccccc1)(c1ccccc1)[Ni]12OC(=N[N]1=Cc1c(ccc3ccccc13)O2)c1ccccc1 |
Title of publication | Effect of substitution and planarity of the ligand on DNA/BSA interaction, free radical scavenging and cytotoxicity of diamagnetic Ni(ii) complexes: A systematic investigation. |
Authors of publication | Sathyadevi, Palanisamy; Krishnamoorthy, Paramasivam; Butorac, Rachel R.; Cowley, Alan H.; Bhuvanesh, Nattamai S. P.; Dharmaraj, Nallasamy |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 38 |
Pages of publication | 9690 - 9702 |
a | 15.778 ± 0.002 Å |
b | 8.8459 ± 0.0014 Å |
c | 20.488 ± 0.003 Å |
α | 90° |
β | 98.896 ± 0.009° |
γ | 90° |
Cell volume | 2825.1 ± 0.7 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 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 | 0.0548 |
Residual factor for significantly intense reflections | 0.0384 |
Weighted residual factors for significantly intense reflections | 0.0906 |
Weighted residual factors for all reflections included in the refinement | 0.096 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7016805.html
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