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Information card for entry 4082190
Preview
Coordinates | 4082190.cif |
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Original paper (by DOI) | HTML |
Formula | C43 H45 F5 N2 Zn |
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Calculated formula | C43 H45 F5 N2 Zn |
SMILES | [Zn]1(=C2N(C=CN2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)(C2([C]1(=C(C(=C2C)C)C)C)C)c1c(c(c(c(c1F)F)F)F)F.c1ccccc1 |
Title of publication | Reactions of CO2with Heteroleptic Zinc and Zinc‒NHC Complexes |
Authors of publication | Jochmann, Phillip; Stephan, Douglas W. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 24 |
Pages of publication | 7503 |
a | 29.173 ± 0.003 Å |
b | 14.1126 ± 0.0017 Å |
c | 9.4718 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3899.6 ± 0.7 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1341 |
Residual factor for significantly intense reflections | 0.0522 |
Weighted residual factors for significantly intense reflections | 0.0706 |
Weighted residual factors for all reflections included in the refinement | 0.0885 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.943 |
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/4082190.html
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