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Information card for entry 7016805
Preview
| Coordinates | 7016805.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H27 N2 Ni O2 P |
|---|---|
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7016805.cif |
| 179872 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/68. |
7016805.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7016805.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7016805.cif |
| 28077 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7016803, 7016804, 7016805 via cif-deposit CGI script. |
7016805.cif |
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