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Information card for entry 7109443
Preview
| Coordinates | 7109443.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C144 H126 Cl0 Cu6 F0 N12 O0 P6 S6 |
|---|---|
| Calculated formula | C144 H126 Cu6 N12 P6 S6 |
| SMILES | C12=C3CCCCC3=C3c4[n](cccc4)[Cu]45[S](=P13c1ccccc1)[Cu]1([n]3c2cccc3)[S]2=P3(C(=C6CCCCC6=C3c3[n]1cccc3)c1[n]([Cu]32[n]2c(C6=C7C(=C8P6(=[S]3[Cu]3([n]6c(C9=C%10C(=C%11P9(=[S]3[Cu]3([n]9c%11cccc9)[S]9=P%11(C(=C%12CCCCC%12=C%11c%11[n]3cccc%11)c3[n]([Cu]%119[S]4=P4(C(=C9C(=C4c4[n]%11cccc4)CCCC9)c4[n]5cccc4)c4ccccc4)cccc3)c3ccccc3)c3ccccc3)CCCC%10)cccc6)[n]3c8cccc3)c3ccccc3)CCCC7)cccc2)cccc1)c1ccccc1 |
| 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 | 16.956 ± 0.002 Å |
| b | 18.436 ± 0.003 Å |
| c | 19.618 ± 0.002 Å |
| α | 109.285 ± 0.002° |
| β | 102.617 ± 0.003° |
| γ | 113.337 ± 0.002° |
| Cell volume | 4864.2 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1301 |
| Residual factor for significantly intense reflections | 0.0659 |
| Weighted residual factors for significantly intense reflections | 0.1668 |
| Weighted residual factors for all reflections included in the refinement | 0.1864 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.809 |
| 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. |
7109443.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7109443.cif |
| 86340 | 2013-06-21 | cif/ Adding structures of 7109442, 7109443, 7109444, 7109445, 7109446, 7109447 via cif-deposit CGI script. |
7109443.cif |
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Users of the data should acknowledge the original authors of the
structural data.