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Information card for entry 7107648
Preview
Coordinates | 7107648.cif |
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Original paper (by DOI) | HTML |
Formula | C42 H36 Br2 Cu2 N4 |
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Calculated formula | C42 H36 Br2 Cu2 N4 |
SMILES | c1(ccccc1)CN1C(N(c2c1cccc2)Cc1ccccc1)=[Cu]1[Br][Cu](=C2N(c3ccccc3N2Cc2ccccc2)Cc2ccccc2)[Br]1 |
Title of publication | Simple and versatile selective synthesis of neutral and cationic copper(I) N-heterocyclic carbene complexes using an electrochemical procedure |
Authors of publication | Benjamin R. M. Lake; Emma K. Bullough; Thomas J. Williams; Adrian C. Whitwood; Marc A. Little; Charlotte E. Willans |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Pages of publication | 4887 |
a | 9.4581 ± 0.0006 Å |
b | 9.5482 ± 0.0007 Å |
c | 11.2949 ± 0.001 Å |
α | 69.206 ± 0.007° |
β | 82.837 ± 0.006° |
γ | 69.262 ± 0.006° |
Cell volume | 891.79 ± 0.13 Å3 |
Cell temperature | 110 ± 0.1 K |
Ambient diffraction temperature | 110 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0539 |
Residual factor for significantly intense reflections | 0.0406 |
Weighted residual factors for significantly intense reflections | 0.0877 |
Weighted residual factors for all reflections included in the refinement | 0.0953 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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