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Information card for entry 4118946
Preview
Coordinates | 4118946.cif |
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Original paper (by DOI) | HTML |
Formula | C8 H14 Fe2 N O12 |
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Calculated formula | C8 H13.98 Fe2 N0.99 O12 |
Title of publication | The Role of Order-Disorder Transitions in the Quest for Molecular Multiferroics: Structural and Magnetic Neutron Studies of a Mixed Valence Iron(II)-Iron(III) Formate Framework |
Authors of publication | Laura Cañadillas-Delgado; Oscar Fabelo; J. Alberto Rodríguez-Velamazán; Marie-Hélène Lemée-Cailleau; Sax A. Mason; Emilio Pardo; Francesc Lloret; Jiong-Peng Zhao; Xian-He Bu; Virginie Simonet; Claire V. Colin; Juan Rodríguez-Carvajal |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2012 |
Journal volume | 134 |
Pages of publication | 19772 - 19781 |
a | 8.255 ± 0.0012 Å |
b | 8.255 ± 0.0012 Å |
c | 13.891 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 819.8 ± 0.2 Å3 |
Cell temperature | 220 ± 2 K |
Ambient diffraction temperature | 220 ± 2 K |
Number of distinct elements | 5 |
Space group number | 163 |
Hermann-Mauguin space group symbol | P -3 1 c |
Hall space group symbol | -P 3 2c |
Residual factor for all reflections | 0.2406 |
Residual factor for significantly intense reflections | 0.18 |
Weighted residual factors for significantly intense reflections | 0.2635 |
Weighted residual factors for all reflections included in the refinement | 0.2777 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.513 |
Diffraction radiation probe | neutron |
Diffraction radiation type | neutron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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