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Information card for entry 7109444
Preview
| Coordinates | 7109444.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C148 H126 Cl0 Cu6 F12 N12 O12 P6 S10 |
|---|---|
| Calculated formula | C148 H126 Cu6 F12 N12 O12 P6 S10 |
| SMILES | C12=C3CCCCC3=C3c4[n](cccc4)[Cu]45[S](=P13c1ccccc1)[Cu]1([n]3c2cccc3)[S]2=P3(C(=C6C(=C3c3cccc[n]13)CCCC6)c1cccc[n]1[Cu]12[S]2=P3(C(=C6C(=C3c3cccc[n]3[Cu]32[n]2c(C7=C8C(=C9P7(=[S]3[Cu]3([n]7c9cccc7)[S]7=P9(C(=C%10CCCCC%10=C9c9cccc[n]39)c3cccc[n]3[Cu]37[S]5=P5(C(=C7CCCCC7=C5c5cccc[n]35)c3cccc[n]43)c3ccccc3)c3ccccc3)c3ccccc3)CCCC8)cccc2)CCCC6)c2cccc[n]12)c1ccccc1)c1ccccc1.C(F)(F)(S(=O)(=O)[O-])F.O=S(=O)([O-])C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-] |
| Title of publication | Syntheses of CuI polymetallic assemblies from reaction of ligands bearing the 2,5-bis(2-pyridyl)phosphole fragment with CuII precursors |
| Authors of publication | Mehdi El Sayed Moussa; Fabian Friess; Wenting Shen; Muriel Hissler; Regis Reau; Christophe Lescop |
| Journal of publication | Chem.Commun. |
| Year of publication | 2013 |
| Journal volume | 49 |
| Pages of publication | 6158 |
| a | 14.961 ± 0.001 Å |
| b | 18.271 ± 0.002 Å |
| c | 19.021 ± 0.002 Å |
| α | 118.348 ± 0.002° |
| β | 104.38 ± 0.003° |
| γ | 101.818 ± 0.002° |
| Cell volume | 4102.7 ± 0.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1023 |
| Residual factor for significantly intense reflections | 0.0657 |
| Weighted residual factors for significantly intense reflections | 0.172 |
| Weighted residual factors for all reflections included in the refinement | 0.1908 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.937 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180198 (current) | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/94. |
7109444.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7109444.cif |
| 86340 | 2013-06-21 | cif/ Adding structures of 7109442, 7109443, 7109444, 7109445, 7109446, 7109447 via cif-deposit CGI script. |
7109444.cif |
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Users of the data should acknowledge the original authors of the
structural data.