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Information card for entry 7015212
Preview
Coordinates | 7015212.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Ni complexes |
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Chemical name | Ni complexes |
Formula | C42 H38 Cl2 N6 Ni O9 |
Calculated formula | C42 H38 Cl2 N6 Ni O9 |
SMILES | [Ni]123([n]4cccc5c4c4[n]1cccc4c(c5C)C)([n]1cccc4c1c1[n]2cccc1c(c4C)C)[n]1cccc2c1c1[n]3cccc1c(c2C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O |
Title of publication | Interaction of rac-[M(diimine)3]2+ (M=Co, Ni) complexes with CT DNA: role of 5,6-dmp ligand on DNA binding and cleavage and cytotoxicity. |
Authors of publication | Ramakrishnan, Sethu; Suresh, Eringadothi; Riyasdeen, Anvarbatcha; Akbarsha, Mohamad Abdulkadhar; Palaniandavar, Mallayan |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 13 |
Pages of publication | 3245 - 3256 |
a | 12.3533 ± 0.0011 Å |
b | 17.9463 ± 0.0017 Å |
c | 17.7582 ± 0.0016 Å |
α | 90° |
β | 100.214 ± 0.002° |
γ | 90° |
Cell volume | 3874.5 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1323 |
Residual factor for significantly intense reflections | 0.0842 |
Weighted residual factors for significantly intense reflections | 0.1523 |
Weighted residual factors for all reflections included in the refinement | 0.169 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.