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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7031714.html
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