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Information card for entry 2204191
Preview
Coordinates | 2204191.cif |
---|---|
Original IUCr paper | HTML |
Formula | C34 H48 Cu N6 O2 S2 |
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Calculated formula | C34 H48 Cu N6 O2 S2 |
SMILES | C1c2c(cccc2)O[Cu]2([N]=1CCC[NH2+]C1CCCCC1)(N=C=S)([N](=Cc1c(cccc1)O2)CCC[NH2+]C1CCCCC1)N=C=S |
Title of publication | <i>trans</i>-Bis{2-[3-(cyclohexylammonio)propyliminomethyl]phenolato}dithiocyanatocopper(II) |
Authors of publication | Nie, Yi |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 9 |
Pages of publication | m1319 - m1320 |
a | 10.901 ± 0.002 Å |
b | 7.789 ± 0.002 Å |
c | 20.719 ± 0.004 Å |
α | 90° |
β | 97.07 ± 0.03° |
γ | 90° |
Cell volume | 1745.8 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.092 |
Residual factor for significantly intense reflections | 0.0491 |
Weighted residual factors for significantly intense reflections | 0.1166 |
Weighted residual factors for all reflections included in the refinement | 0.1554 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.956 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2204191.html
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