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Information card for entry 7059291
Preview
| Coordinates | 7059291.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H11 N3 O2 |
|---|---|
| Calculated formula | C13 H11 N3 O2 |
| SMILES | O=C1N(C(=NC\1=C/c1c(O)ccc(c1)C#N)C)C |
| Title of publication | Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions |
| Authors of publication | Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2020 |
| Journal volume | 44 |
| Journal issue | 10 |
| Pages of publication | 4158 - 4170 |
| a | 24.9655 ± 0.001 Å |
| b | 3.8349 ± 0.0001 Å |
| c | 26.7584 ± 0.001 Å |
| α | 90° |
| β | 115.488 ± 0.005° |
| γ | 90° |
| Cell volume | 2312.52 ± 0.17 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0605 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.1083 |
| Weighted residual factors for all reflections included in the refinement | 0.1121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.938 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298703 (current) | 2025-04-03 | cif/7: Fixing Z values and formulae |
7059291.cif |
| 257651 | 2020-10-06 | cif/ Updating files of 7059276, 7059277, 7059278, 7059279, 7059280, 7059281, 7059282, 7059283, 7059284, 7059285, 7059286, 7059287, 7059288, 7059289, 7059290, 7059291, 7059292, 7059293, 7059294, 7059295, 7059296, 7059297, 7059298, 7059299, 7059300, 7059301, 7059302, 7059303, 7059304, 7059305 Original log message: Adding full bibliography for 7059276--7059305.cif. |
7059291.cif |
| 250333 | 2020-04-05 | cif/ Updating files of 7059276, 7059277, 7059278, 7059279, 7059280, 7059281, 7059282, 7059283, 7059284, 7059285, 7059286, 7059287, 7059288, 7059289, 7059290, 7059291, 7059292, 7059293, 7059294, 7059295, 7059296, 7059297, 7059298, 7059299, 7059300, 7059301, 7059302, 7059303, 7059304, 7059305 Original log message: Adding full bibliography for 7059276--7059305.cif. |
7059291.cif |
| 247883 | 2020-02-05 | cif/ Adding structures of 7059276, 7059277, 7059278, 7059279, 7059280, 7059281, 7059282, 7059283, 7059284, 7059285, 7059286, 7059287, 7059288, 7059289, 7059290, 7059291, 7059292, 7059293, 7059294, 7059295, 7059296, 7059297, 7059298, 7059299, 7059300, 7059301, 7059302, 7059303, 7059304, 7059305 via cif-deposit CGI script. |
7059291.cif |
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Users of the data should acknowledge the original authors of the
structural data.