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Information card for entry 4324234
Preview
| Coordinates | 4324234.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (1-Ethyl-4,7-bis(ethylguanidinium)-1,4,7-triazacyclononane)copper(II) perchlorate |
|---|---|
| Formula | C14 H33 Cl2 Cu N9 O8 |
| Calculated formula | C14 H33 Cl2 Cu N9 O8 |
| SMILES | [Cu]1234[N]5(CC[N]1(CC[N]2(CC5)CC[N]3=C(N)N)CC[N]4=C(N)N)CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
| Title of publication | Synthesis, Structure, and DNA Cleavage Properties of Copper(II) Complexes of 1,4,7-Triazacyclononane Ligands Featuring Pairs of Guanidine Pendants |
| Authors of publication | Linda Tjioe; Tanmaya Joshi; Joël Brugger; Bim Graham; Leone Spiccia |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 621 - 635 |
| a | 16.4966 ± 0.0007 Å |
| b | 9.0232 ± 0.0004 Å |
| c | 15.8392 ± 0.0006 Å |
| α | 90° |
| β | 92.891 ± 0.002° |
| γ | 90° |
| Cell volume | 2354.7 ± 0.17 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.087 |
| Residual factor for significantly intense reflections | 0.0715 |
| Weighted residual factors for significantly intense reflections | 0.148 |
| Weighted residual factors for all reflections included in the refinement | 0.1534 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.283 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179345 (current) | 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 4/32/42. |
4324234.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324234.cif |
| 40939 | 2012-03-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4324234 via cif-deposit CGI script. |
4324234.cif |
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