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Information card for entry 7031714
Preview
| Coordinates | 7031714.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H88 Cu4 Fe2 I4 P4 |
|---|---|
| Calculated formula | C52 H88 Cu4 Fe2 I4 P4 |
| SMILES | [I]12[Cu]34[I][Cu]23([I]2[Cu]35[I][Cu]123[P](C(C)(C)C)(C(C)(C)C)[c]12[cH]3[Fe]6789%10%111([cH]([cH]28)[cH]36)[cH]1[cH]%11[c]9([cH]%10[cH]71)[P]5(C(C)(C)C)C(C)(C)C)[P]([c]12[Fe]356789%10([cH]%11[cH]7[cH]%10[cH]5[c]3%11[P]4(C(C)(C)C)C(C)(C)C)[cH]1[cH]9[cH]6[cH]28)(C(C)(C)C)C(C)(C)C |
| Title of publication | Syntheses, characterization, and structural studies of copper(i) complexes containing 1,1'-bis(di-tert-butylphosphino)ferrocene (dtbpf) and their application in palladium-catalyzed Sonogashira coupling of aryl halides. |
| Authors of publication | Trivedi, Manoj; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 36 |
| Pages of publication | 13620 - 13629 |
| a | 20.4931 ± 0.0018 Å |
| b | 11.207 ± 0.0009 Å |
| c | 26.943 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6187.9 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.1615 |
| Residual factor for significantly intense reflections | 0.1492 |
| Weighted residual factors for significantly intense reflections | 0.3531 |
| Weighted residual factors for all reflections included in the refinement | 0.3658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.451 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180023 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/17. |
7031714.cif |
| 123450 | 2014-09-08 | cif/ Updating files of 7031712, 7031713, 7031714 Original log message: Adding full bibliography for 7031712--7031714.cif. |
7031714.cif |
| 120667 | 2014-07-23 | cif/ Adding structures of 7031712, 7031713, 7031714 via cif-deposit CGI script. |
7031714.cif |
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