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Information card for entry 7015744
Preview
| Coordinates | 7015744.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H40 Cl4 Cu4 N28 O24 |
|---|---|
| Calculated formula | C36 H32 Cl4 Cu4 N28 O24 |
| SMILES | C12=N[N]3=C(c4cccc[n]4[Cu]453[O]1[Cu]13([n]6c2nc[nH]6)[N](=C(c2cccc[n]12)N)N=C1c2[n]([Cu]67([N](=C(c8cccc[n]68)N)N=C6c8[n]([nH]cn8)[Cu]89([O]76)[N](=C(c6cccc[n]86)N)N=C(c6[n]4[nH]cn6)[O]59)[O]31)[nH]cn2)N.[O-]Cl(=O)(=O)=O.O.[O-]Cl(=O)(=O)=O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.O.O |
| Title of publication | Complexes of functionally modified hydrazone ligands‒square, rectangular (M4), trigonal bipyramidal (M5) and pin-wheel (M6) motifs. |
| Authors of publication | Anwar, Muhammad U.; Elliott, Andrew S.; Thompson, Laurence K.; Dawe, Louise N. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 17 |
| Pages of publication | 4623 - 4635 |
| a | 14.7586 ± 0.0016 Å |
| b | 14.7586 ± 0.0016 Å |
| c | 27.279 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5941.8 ± 1.1 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.083 |
| Residual factor for significantly intense reflections | 0.0813 |
| Weighted residual factors for significantly intense reflections | 0.2364 |
| Weighted residual factors for all reflections included in the refinement | 0.239 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179861 (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 7/01/57. |
7015744.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015744.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015744.cif |
| 21336 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7015742, 7015743, 7015744, 7015745, 7015746, 7015747, 7015748, 7015749 via cif-deposit CGI script. |
7015744.cif |
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