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Information card for entry 4326830
Preview
Coordinates | 4326830.cif |
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Original paper (by DOI) | HTML |
Chemical name | Λ-Bis{(R)-N-(1-(4-bromophenyl)ethyl)salicylaldiminato- κ^2^N,O}zinc(II) |
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Formula | C30 H26 Br2 N2 O2 Zn |
Calculated formula | C30 H26 Br2 N2 O2 Zn |
SMILES | [Zn]12([N](=Cc3c(O1)cccc3)[C@H](C)c1ccc(Br)cc1)[N](=Cc1c(O2)cccc1)[C@H](C)c1ccc(Br)cc1 |
Title of publication | Chirality and Diastereoselection of Δ/Λ-Configured Tetrahedral Zinc Complexes through Enantiopure Schiff Base Complexes: Combined Vibrational Circular Dichroism, Density Functional Theory, 1H NMR, and X-ray Structural Studies |
Authors of publication | Anne-Christine Chamayou; Steffen Lüdeke; Volker Brecht; Teresa B. Freedman; Laurence A. Nafie; Christoph Janiak |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 11363 - 11374 |
a | 10.064 ± 0.002 Å |
b | 10.522 ± 0.002 Å |
c | 26.34 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2789.2 ± 0.9 Å3 |
Cell temperature | 203 ± 2 K |
Ambient diffraction temperature | 203 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0676 |
Residual factor for significantly intense reflections | 0.0396 |
Weighted residual factors for significantly intense reflections | 0.0646 |
Weighted residual factors for all reflections included in the refinement | 0.0705 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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