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Information card for entry 7114656
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Coordinates | 7114656.cif |
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Original paper (by DOI) | HTML |
Chemical name | Tris[pyrazol-3-ylpyrazine]iron(II) ditetrafluoroborate trihydrate |
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Formula | C21 H24 B2 F8 Fe N12 O3 |
Calculated formula | C21 H18 B1.3 F5.2 Fe N12 |
Title of publication | Complex thermal expansion properties in a molecular honeycomb lattice |
Authors of publication | Jonathan J. Loughrey; Tim P. Comyn; David C. Apperley; Marc A. Little; Malcolm A. Halcrow |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 7601 |
a | 12.6778 ± 0.0007 Å |
b | 12.6778 ± 0.0007 Å |
c | 10.9308 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 1521.49 ± 0.16 Å3 |
Cell temperature | 300 ± 2 K |
Ambient diffraction temperature | 300 ± 2 K |
Number of distinct elements | 7 |
Space group number | 159 |
Hermann-Mauguin space group symbol | P 3 1 c |
Hall space group symbol | P 3 -2c |
Residual factor for all reflections | 0.0447 |
Residual factor for significantly intense reflections | 0.0428 |
Weighted residual factors for significantly intense reflections | 0.1191 |
Weighted residual factors for all reflections included in the refinement | 0.1219 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.158 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7114656.html
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