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Information card for entry 2203999
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Coordinates | 2203999.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Diaquabis(ethylenediamine-κ^2^N,N')copper(II) bis(4-fluorobenzoate) |
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Formula | C18 H28 Cu F2 N4 O6 |
Calculated formula | C18 H28 Cu F2 N4 O6 |
SMILES | C1[NH2][Cu]2([NH2]CC[NH2]2)[NH2]C1.c1(ccc(cc1)F)C(=O)[O-].O.c1(ccc(cc1)F)C(=O)[O-].O |
Title of publication | Diaquabis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(4-fluorobenzoate) |
Authors of publication | Liu, Zhao-Di; Tan, Min-Yu; Zhu, Hai-Liang |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 8 |
Pages of publication | m1081 - m1083 |
a | 6.131 ± 0.001 Å |
b | 7.144 ± 0.001 Å |
c | 14.498 ± 0.003 Å |
α | 95.72 ± 0.03° |
β | 96.37 ± 0.03° |
γ | 115.15 ± 0.03° |
Cell volume | 563.6 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0586 |
Residual factor for significantly intense reflections | 0.0574 |
Weighted residual factors for significantly intense reflections | 0.1799 |
Weighted residual factors for all reflections included in the refinement | 0.1805 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.183 |
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/2203999.html
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