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Information card for entry 4329158
Preview
| Coordinates | 4329158.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H27 Cl2 Cu N7 O9 |
|---|---|
| Calculated formula | C29 H27 Cl2 Cu N7 O9 |
| SMILES | [Cu]123([n]4c5ccccc5[nH]c4C[NH]1Cc1[n]2c2c([nH]1)cccc2)[n]1cccc2c1c1[n]3cccc1cc2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC |
| Title of publication | Mixed Ligand Copper(II) Complexes of N,N-Bis(benzimidazol-2-ylmethyl)amine (BBA) with Diimine Co-Ligands: Efficient Chemical Nuclease and Protease Activities and Cytotoxicity |
| Authors of publication | Rangasamy Loganathan; Sethu Ramakrishnan; Eringathodi Suresh; Anvarbatcha Riyasdeen; Mohamad Abdulkadhar Akbarsha; Mallayan Palaniandavar |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 5512 - 5532 |
| a | 18.5438 ± 0.0017 Å |
| b | 9.5229 ± 0.0009 Å |
| c | 19.5434 ± 0.0017 Å |
| α | 90° |
| β | 117.341 ± 0.001° |
| γ | 90° |
| Cell volume | 3065.6 ± 0.5 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1238 |
| Residual factor for significantly intense reflections | 0.1037 |
| Weighted residual factors for significantly intense reflections | 0.1982 |
| Weighted residual factors for all reflections included in the refinement | 0.2076 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.262 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4329158.cif |
| 179394 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/91. |
4329158.cif |
| 78198 | 2013-04-01 | cif/ Adding structures of 4329158 via cif-deposit CGI script. |
4329158.cif |
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Users of the data should acknowledge the original authors of the
structural data.