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Information card for entry 7005819
Preview
Coordinates | 7005819.cif |
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Original paper (by DOI) | HTML |
Common name | Cu(PETAEA)CuCl, Compound 1 |
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Formula | C23 H27 Cl Cu2 N4 O2 S |
Calculated formula | C23 H27 Cl Cu2 N4 O2 S |
SMILES | [Cu]1234[Cu](Cl)[N]4(S(=O)(=O)c4ccc(cc4)C)CC[N]2(CCc2[n]1cccc2)CCc1[n]3cccc1 |
Title of publication | Asymmetric dinuclear copper(I) complexes of bis-(2-(2-pyridyl)ethyl)-2-(N-toluenesulfonylamino)ethylamine with short copper-copper distances. |
Authors of publication | Goodwin, Jocelyn M.; Chiang, Pin-Chieh; Brynda, Marcin; Penkina, Katerina; Olmstead, Marilyn M.; Patten, Timothy E. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 28 |
Pages of publication | 3086 - 3092 |
a | 9.1111 ± 0.0006 Å |
b | 10.8627 ± 0.0007 Å |
c | 13.4127 ± 0.0009 Å |
α | 68.776 ± 0.003° |
β | 84.102 ± 0.003° |
γ | 87.524 ± 0.003° |
Cell volume | 1230.85 ± 0.14 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0307 |
Residual factor for significantly intense reflections | 0.0241 |
Weighted residual factors for significantly intense reflections | 0.0599 |
Weighted residual factors for all reflections included in the refinement | 0.0646 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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