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Information card for entry 4314675
Preview
| Coordinates | 4314675.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bis((8-benzyloxyquinolin-2-yl)methylene)-R,R-1,2-cyclohexanediamine- bis((8-benzyloxyquinolin-2-yl)methylene)-S,S-1,2-cyclohexanediamine -di-copper(I) diperchlorate diethylether |
|---|---|
| Formula | C88 H92 Cl2 Cu2 N8 O14 |
| Calculated formula | C88 H92 Cl2 Cu2 N8 O14 |
| SMILES | [C@@H]12[C@H](CCCC1)[N]1=Cc3[n](c4c(cc3)cccc4OCc3ccccc3)[Cu]31[N]([C@H]1[C@H]([N]4[Cu]5([N]2=Cc2ccc6cccc(OCc7ccccc7)c6[n]52)[n]2c5c(cccc5OCc5ccccc5)ccc2C=4)CCCC1)=Cc1ccc2cccc(OCc4ccccc4)c2[n]31.[O-]Cl(=O)(=O)=O.O(CC)CC.[O-]Cl(=O)(=O)=O.O(CC)CC |
| Title of publication | Octahedral Copper(II) and Tetrahedral Copper(I) Double-Strand Helicates: Chiral Self-Recognition and Redox Behavior |
| Authors of publication | Valeria Amendola; Massimo Boiocchi; Valentina Brega; Luigi Fabbrizzi; Lorenzo Mosca |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 997 - 1007 |
| a | 10.568 ± 0.006 Å |
| b | 13.53 ± 0.006 Å |
| c | 15.543 ± 0.006 Å |
| α | 93.88 ± 0.04° |
| β | 100.55 ± 0.05° |
| γ | 108.2 ± 0.05° |
| Cell volume | 2056.9 ± 1.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1504 |
| Residual factor for significantly intense reflections | 0.0705 |
| Weighted residual factors for significantly intense reflections | 0.1585 |
| Weighted residual factors for all reflections included in the refinement | 0.1927 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179224 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/46. |
4314675.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4314675.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4314675.cif |
| 7818 | 2011-02-02 | ../uploads/cif-deposit/cod/cif Adding structures of 4314675 via cif-deposit CGI script. |
4314675.cif |
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