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Information card for entry 7043421
Preview
Coordinates | 7043421.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H60 Cl4 Cu N2 O2 |
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Calculated formula | C44 H60 Cl4 Cu N2 O2 |
SMILES | C(c1ccc(cc1)C)[NH+](Cc1ccc(cc1)C)CC[NH+](Cc1ccc(cc1)C)Cc1ccc(cc1)C.OC1CCCC1.Cl[Cu](Cl)([Cl-])[Cl-].OC1CCCC1 |
Title of publication | Insights on the electron-donating and withdrawing effect of the functional groups on mechanochemical dehydrochlorination reactions |
Authors of publication | Marti-Rujas, javier; Guo, Fang; Wang, Zhen; Zhang, Jinjing; Li, Hai Tao; Famulari, Antonino |
Journal of publication | Dalton Trans. |
Year of publication | 2017 |
a | 15.096 ± 0.003 Å |
b | 10.201 ± 0.002 Å |
c | 29.484 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4540.4 ± 1.6 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.1646 |
Residual factor for significantly intense reflections | 0.1065 |
Weighted residual factors for significantly intense reflections | 0.2753 |
Weighted residual factors for all reflections included in the refinement | 0.3306 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7043421.html
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