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Information card for entry 4313995
Preview
Coordinates | 4313995.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H44 Cl Cu N5 O5 S |
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Calculated formula | C26 H44 Cl Cu N5 O5 S |
SMILES | [Cu]123([S](CC)CC[N]1(Cc1[n]2c(NCC(C)(C)C)ccc1)Cc1[n]3c(NCC(C)(C)C)ccc1)O.Cl(=O)(=O)(=O)[O-] |
Title of publication | Mononuclear N3S(thioether)-Ligated Copper(II) Methoxide Complexes: Synthesis, Characterization, and Hydrolytic Reactivity |
Authors of publication | Kyle J. Tubbs; Amy L. Fuller; Brian Bennett; Atta M. Arif; Lisa M. Berreau |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 4790 - 4791 |
a | 12.4954 ± 0.0002 Å |
b | 17.0938 ± 0.0003 Å |
c | 14.5738 ± 0.0002 Å |
α | 90° |
β | 100.341 ± 0.0008° |
γ | 90° |
Cell volume | 3062.31 ± 0.08 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 7 |
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 | 0.0504 |
Residual factor for significantly intense reflections | 0.0349 |
Weighted residual factors for significantly intense reflections | 0.0794 |
Weighted residual factors for all reflections included in the refinement | 0.0867 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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