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Information card for entry 7116279
Preview
| Coordinates | 7116279.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H62 B Cl6 Cu3 F4 P6 |
|---|---|
| Calculated formula | C66 H62 B Cl6 Cu3 F4 P6 |
| SMILES | [Cu]123[Cu]456([Cu]([Cl]4)([P](C[P]5(C[P]2(c2ccccc2)c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[P](C[P]6(C[P]3(c2ccccc2)c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[Cl]1.[B](F)(F)(F)[F-].ClCCl.ClCCl |
| Title of publication | Organometallic polyphosphorus and -arsenic ligands as linkers between pre-assembled linear Cu(I) fragments. |
| Authors of publication | Fleischmann, Martin; Dütsch, Luis; Moussa, Mehdi Elsayed; Schindler, Andrea; Balázs, Gábor; Lescop, Christophe; Scheer, Manfred |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2015 |
| Journal volume | 51 |
| Journal issue | 14 |
| Pages of publication | 2893 |
| a | 12.4596 ± 0.0001 Å |
| b | 27.6079 ± 0.0002 Å |
| c | 20.0624 ± 0.0002 Å |
| α | 90° |
| β | 104.466 ± 0.001° |
| γ | 90° |
| Cell volume | 6682.34 ± 0.1 Å3 |
| Cell temperature | 123 ± 1 K |
| Ambient diffraction temperature | 123 ± 1 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0369 |
| Residual factor for significantly intense reflections | 0.0299 |
| Weighted residual factors for significantly intense reflections | 0.0869 |
| Weighted residual factors for all reflections included in the refinement | 0.095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180276 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/62. |
7116279.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
7116279.cif |
| 130945 | 2015-02-04 | cif/ Updating files of 7116279, 7116280, 7116281, 7116282, 7116283, 7116284 Original log message: Adding full bibliography for 7116279--7116284.cif. |
7116279.cif |
| 129369 | 2015-01-06 | cif/ Adding structures of 7116279, 7116280, 7116281, 7116282, 7116283, 7116284 via cif-deposit CGI script. |
7116279.cif |
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Users of the data should acknowledge the original authors of the
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