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Information card for entry 7031712
Preview
| Coordinates | 7031712.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H88 Cl4 Cu4 Fe2 P4 |
|---|---|
| Calculated formula | C52 H88 Cl4 Cu4 Fe2 P4 |
| SMILES | [c]123[cH]4[cH]5[cH]6[cH]1[Fe]17893456[c]3([cH]9[cH]8[cH]7[cH]13)[P](C(C)(C)C)(C(C)(C)C)[Cu]13[Cl]4[Cu]5([P]2(C(C)(C)C)C(C)(C)C)[Cl]2[Cu]46[Cl]3[Cu]2([Cl]15)[P]([c]12[cH]3[cH]4[cH]5[cH]1[Fe]17892345[c]2([cH]1[cH]7[cH]8[cH]29)[P]6(C(C)(C)C)C(C)(C)C)(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 | 16.4372 ± 0.0015 Å |
| b | 25.568 ± 0.003 Å |
| c | 30.217 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12699 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 70 |
| Hermann-Mauguin space group symbol | F d d d |
| Hall space group symbol | -F 2uv 2vw |
| Residual factor for all reflections | 0.0924 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for significantly intense reflections | 0.1172 |
| Weighted residual factors for all reflections included in the refinement | 0.157 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.145 |
| 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. |
7031712.cif |
| 123450 | 2014-09-08 | cif/ Updating files of 7031712, 7031713, 7031714 Original log message: Adding full bibliography for 7031712--7031714.cif. |
7031712.cif |
| 120667 | 2014-07-23 | cif/ Adding structures of 7031712, 7031713, 7031714 via cif-deposit CGI script. |
7031712.cif |
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