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Information card for entry 4082975
Preview
Coordinates | 4082975.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H30 Br2 Cl4 Cu2 N6 |
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Calculated formula | C26 H30 Br2 Cl4 Cu2 N6 |
SMILES | Br[Cu]123C45N(CC=C)C=CN4Cc4cccc[n]4[Cu]35(C31N(CC=C)C=CN3Cc1cccc[n]21)Br.C(Cl)Cl.C(Cl)Cl |
Title of publication | Remarkable Stability of Copper(II)‒N-Heterocyclic Carbene Complexes Void of an Anionic Tether |
Authors of publication | Lake, Benjamin R. M.; Willans, Charlotte E. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 8 |
Pages of publication | 2027 |
a | 11.7314 ± 0.0006 Å |
b | 8.2776 ± 0.0004 Å |
c | 16.4014 ± 0.0007 Å |
α | 90° |
β | 100.032 ± 0.005° |
γ | 90° |
Cell volume | 1568.35 ± 0.13 Å3 |
Cell temperature | 99.96 ± 0.14 K |
Ambient diffraction temperature | 99.96 ± 0.14 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0636 |
Residual factor for significantly intense reflections | 0.0429 |
Weighted residual factors for significantly intense reflections | 0.0839 |
Weighted residual factors for all reflections included in the refinement | 0.0937 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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