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Information card for entry 7037047
Preview
Coordinates | 7037047.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H44 Cu Fe I P2 |
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Calculated formula | C26 H44 Cu Fe I P2 |
SMILES | I[Cu]1[P]([c]23[cH]4[Fe]56789%102([cH]3[cH]6[cH]45)[c]2([cH]%10[cH]9[cH]8[cH]72)[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C |
Title of publication | 1,1'-Bis(di-tert-butylphosphino)ferrocene copper(i) complex catalyzed C-H activation and carboxylation of terminal alkynes. |
Authors of publication | Trivedi, Manoj; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 48 |
Pages of publication | 20874 - 20882 |
a | 16.6781 ± 0.0008 Å |
b | 8.5263 ± 0.0004 Å |
c | 19.8071 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2816.6 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.043 |
Residual factor for significantly intense reflections | 0.0293 |
Weighted residual factors for significantly intense reflections | 0.0452 |
Weighted residual factors for all reflections included in the refinement | 0.0483 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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