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Information card for entry 4309633
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Coordinates | 4309633.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 03189 |
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Chemical name | (PhMe)LiPr2Cu(MeCN) |
Formula | C34 H44 Cu N3 |
Calculated formula | C34 H44 Cu N3 |
SMILES | [Cu]1(N(c2ccccc2C(=[N]1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)[N]#CC |
Title of publication | Characterization of a 1:1 Cu-O2 Adduct Supported by an Anilido Imine Ligand |
Authors of publication | Anne M. Reynolds; Benjamin F. Gherman; Christopher J. Cramer; William B. Tolman |
Journal of publication | Inorganic Chemistry |
Year of publication | 2005 |
Journal volume | 44 |
Pages of publication | 6989 - 6997 |
a | 10.1334 ± 0.0005 Å |
b | 20.1075 ± 0.0011 Å |
c | 15.9863 ± 0.0009 Å |
α | 90° |
β | 105.508 ± 0.001° |
γ | 90° |
Cell volume | 3138.7 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0541 |
Residual factor for significantly intense reflections | 0.0369 |
Weighted residual factors for significantly intense reflections | 0.0932 |
Weighted residual factors for all reflections included in the refinement | 0.1037 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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