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Information card for entry 7029064
Preview
Coordinates | 7029064.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Δ-Bis{(R)-N-(1-phenylethyl)-2-oxo-1-naphthaldiminato- κ^2^N,O}copper(II) |
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Formula | C38 H32 Cu N2 O2 |
Calculated formula | C38 H32 Cu N2 O2 |
SMILES | [N]1([Cu]2(Oc3ccc4ccccc4c3C=1)[N](=Cc1c(O2)ccc2ccccc12)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1 |
Title of publication | Induced chirality-at-metal and diastereoselectivity at Δ/Λ-configured distorted square-planar copper complexes by enantiopure Schiff base ligands: combined circular dichroism, DFT and X-ray structural studies. |
Authors of publication | Enamullah, Mohammed; Uddin, A. K. M. Royhan; Pescitelli, Gennaro; Berardozzi, Roberto; Makhloufi, Gamall; Vasylyeva, Vera; Chamayou, Anne-Christine; Janiak, Christoph |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 8 |
Pages of publication | 3313 - 3329 |
a | 10.6477 ± 0.0014 Å |
b | 15.3321 ± 0.0015 Å |
c | 9.7742 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1595.7 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 18 |
Hermann-Mauguin space group symbol | P 21 21 2 |
Hall space group symbol | P 2 2ab |
Residual factor for all reflections | 0.0558 |
Residual factor for significantly intense reflections | 0.0457 |
Weighted residual factors for significantly intense reflections | 0.1136 |
Weighted residual factors for all reflections included in the refinement | 0.1198 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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