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Information card for entry 4105679
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Coordinates | 4105679.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Compound X |
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Formula | Ba4 Co2 Cu3.89 O4 S4 |
Calculated formula | Ba4 Co2 Cu3.888 O4 S4 |
Title of publication | High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution |
Authors of publication | Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 2691 - 2705 |
a | 4.0711 ± 0.0001 Å |
b | 4.0711 ± 0.0001 Å |
c | 18.9094 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 313.402 ± 0.015 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 139 |
Hermann-Mauguin space group symbol | I 4/m m m |
Hall space group symbol | -I 4 2 |
Residual factor for all reflections | 0.0178 |
Residual factor for significantly intense reflections | 0.0168 |
Weighted residual factors for significantly intense reflections | 0.0382 |
Weighted residual factors for all reflections included in the refinement | 0.0385 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.163 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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