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Information card for entry 1504410
Preview
Coordinates | 1504410.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H18 Cu2 N2 O6 |
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Calculated formula | C8 H18 Cu2 N2 O6 |
Title of publication | A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions. |
Authors of publication | Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri |
Journal of publication | The journal of physical chemistry. A |
Year of publication | 2008 |
Journal volume | 112 |
Journal issue | 38 |
Pages of publication | 9050 - 9067 |
a | 8.4758 ± 0.0003 Å |
b | 8.7735 ± 0.0003 Å |
c | 8.3445 ± 0.0003 Å |
α | 90° |
β | 99.616 ± 0.002° |
γ | 90° |
Cell volume | 611.8 ± 0.04 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.021 |
Residual factor for significantly intense reflections | 0.013 |
Weighted residual factors for all reflections included in the refinement | 0.017 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation probe | x-ray |
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/1504410.html
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