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Information card for entry 7031713
Preview
Coordinates | 7031713.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C78 H132 Br6 Cu6 Fe3 P6 |
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Calculated formula | C78 H132 Br6 Cu6 Fe3 P6 |
SMILES | [Br]1[Cu]2[Br][Cu]([Br][Cu]1[P]([c]13[cH]4[Fe]56789%101([cH]4[cH]5[cH]36)[c]1([cH]%10[cH]9[cH]8[cH]71)[P]2(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)[P](C(C)(C)C)(C(C)(C)C)[c]12[cH]3[Fe]4567891([cH]3[cH]8[cH]29)[c]1([cH]4[cH]5[cH]6[cH]71)[P](C(C)(C)C)(C(C)(C)C)[Cu]12[Br][Cu]34[Br]1[Cu]([Br]23)[P]([c]12[cH]3[Fe]56789%101([c]1([P]4(C(C)(C)C)C(C)(C)C)[cH]5[cH]6[cH]7[cH]81)[cH]3[cH]9[cH]2%10)(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 | 15.0968 ± 0.0008 Å |
b | 17.6712 ± 0.001 Å |
c | 19.1629 ± 0.0011 Å |
α | 68.193 ± 0.003° |
β | 69.974 ± 0.002° |
γ | 82.735 ± 0.002° |
Cell volume | 4459.4 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0842 |
Residual factor for significantly intense reflections | 0.045 |
Weighted residual factors for significantly intense reflections | 0.0837 |
Weighted residual factors for all reflections included in the refinement | 0.0963 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7031713.html
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