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Information card for entry 4325325
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Coordinates | 4325325.cif |
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Original paper (by DOI) | HTML |
Formula | C6 H14 Cu O8 |
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Calculated formula | C6 H14 Cu O8 |
Title of publication | Temperature Dependence of the Crystal Structure and g-Values of trans-Diaquabis(methoxyacetato)Copper(II): Evidence for a Thermal Equilibrium Between Complexes with tetragonally Elongated and Compressed Geometries |
Authors of publication | Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Dirk Reinen; Vanessa M. Masters; Mark J. Riley |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 4900 - 4916 |
a | 6.9527 ± 0.0002 Å |
b | 10.1099 ± 0.0002 Å |
c | 7.2265 ± 0.0001 Å |
α | 90° |
β | 96.5186 ± 0.0013° |
γ | 90° |
Cell volume | 504.675 ± 0.019 Å3 |
Cell temperature | 280 K |
Ambient diffraction temperature | 280 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0219 |
Residual factor for significantly intense reflections | 0.022 |
Weighted residual factors for all reflections | 0.023 |
Weighted residual factors for all reflections included in the refinement | 0.023 |
Goodness-of-fit parameter for all reflections | 1.953 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.95 |
Diffraction radiation wavelength | 0.7107 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/4325325.html
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structural data.