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Information card for entry 4336091
Preview
| Coordinates | 4336091.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (R,R)-bis(mu2-N,N'-bis((8-(2-naphthyl)methoxyquinolin-2-yl)methylene) -1,2-cyclohexanediamine)-di-copper(I) diperchlorate dihydrate tetra-acetonitrile solvate |
|---|---|
| Formula | C104 H94 Cl2 Cu2 N12 O13 |
| Calculated formula | C104 H92 Cl2 Cu2 N12 O13 |
| SMILES | [C@H]12[C@@H](CCCC1)[N]1[Cu]3([N]([C@H]4[C@@H](CCCC4)[N]4[Cu]5([N]2=Cc2ccc6cccc(OCc7cc8ccccc8cc7)c6[n]52)[n]2c(C=4)ccc4cccc(OCc5cc6ccccc6cc5)c24)=Cc2[n]3c3c(cc2)cccc3OCc2cc3ccccc3cc2)[n]2c(C=1)ccc1cccc(OCc3cc4ccccc4cc3)c21.N#CC.N#CC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.O.N#CC.N#CC |
| Title of publication | Dicopper Double-Strand Helicates Held Together by Additional π-π Interactions |
| Authors of publication | Massimo Boiocchi; Valentina Brega; Carlo Ciarrocchi; Luigi Fabbrizzi; Piersandro Pallavicini |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 10643 - 10652 |
| a | 14.007 ± 0.004 Å |
| b | 14.007 ± 0.004 Å |
| c | 40.837 ± 0.012 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 6939 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 172 |
| Hermann-Mauguin space group symbol | P 64 |
| Hall space group symbol | P 64 |
| Residual factor for all reflections | 0.0735 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for significantly intense reflections | 0.1519 |
| Weighted residual factors for all reflections included in the refinement | 0.1623 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213925 (current) | 2019-03-01 | cif/ Moved the _audit_creation_method data item out of the loop in entries 1508200, 1516032, 1517834, 1548517, 1548518, 1548519, 1548520, 1548521, 1548522, 2014597, 2216152, 2241692, 4078301, 4081819, 4084531, 4105795, 4331477, 4336091, 4503532, 4503533, 4503534, 4503535, 7004275, 7004276, 7004277, 7004278, 7004279, 7004280, 7015244, 7055771, 7103304, 7115802, 7115804, 7115805, 7115806, 7153370 7212801. |
4336091.cif |
| 179463 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/60. |
4336091.cif |
| 102061 | 2014-02-19 | cif/ Adding structures of 4336091 via cif-deposit CGI script. |
4336091.cif |
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Users of the data should acknowledge the original authors of the
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