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Information card for entry 7014702
Preview
| Coordinates | 7014702.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H18 Co N6 O4 |
|---|---|
| Calculated formula | C30 H18 Co N6 O4 |
| SMILES | [Co]123([n]4c(cccc4)C(=O)O1)([n]1c(cccc1)C(=O)O2)[n]1c2c4[n]3cccc4c3nc4ccccc4nc3c2ccc1 |
| Title of publication | Mixed ligand cobalt(II) picolinate complexes: synthesis, characterization, DNA binding and photocleavage. |
| Authors of publication | Kawade, Vitthal A.; Kumbhar, Anupa A.; Kumbhar, Avinash S.; Näther, Christian; Erxleben, Andrea; Sonawane, Uddhavesh B.; Joshi, Rajendra R. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 3 |
| Pages of publication | 639 - 650 |
| a | 24.0172 ± 0.0013 Å |
| b | 17.3052 ± 0.0011 Å |
| c | 14.1228 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5869.8 ± 0.6 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0911 |
| Residual factor for significantly intense reflections | 0.0691 |
| Weighted residual factors for significantly intense reflections | 0.1544 |
| Weighted residual factors for all reflections included in the refinement | 0.1623 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179851 (current) | 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 7/01/47. |
7014702.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7014702.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014702.cif |
| 14828 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7014701, 7014702, 7014703 via cif-deposit CGI script. |
7014702.cif |
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Users of the data should acknowledge the original authors of the
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