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Information card for entry 7061629
Preview
Coordinates | 7061629.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H30 N4 O8 Re2 |
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Calculated formula | C14 H30 N4 O8 Re2 |
Title of publication | Two quasi-spherical molecules [1,4-diazabicyclo(3.2.2)nonane]X (X = ClO4, ReO4) exhibit switchable phase transition, dielectric and second-harmonic-generation properties |
Authors of publication | You, Xiuli; Rao, Wenjun; Han, Keke; Wang, Lingyu; Zhang, Mengxia; Wei, Zhenhong |
Journal of publication | New Journal of Chemistry |
Year of publication | 2022 |
Journal volume | 46 |
Journal issue | 30 |
Pages of publication | 14404 - 14409 |
a | 13.725 ± 0.002 Å |
b | 13.75 ± 0.002 Å |
c | 10.9708 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2070.4 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 5 |
Space group number | 41 |
Hermann-Mauguin space group symbol | A e a 2 |
Hall space group symbol | A 2 -2ab |
Residual factor for all reflections | 0.0378 |
Residual factor for significantly intense reflections | 0.0298 |
Weighted residual factors for significantly intense reflections | 0.0666 |
Weighted residual factors for all reflections included in the refinement | 0.0715 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
Diffraction radiation wavelength | 0.71073 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/7061629.html
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