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Information card for entry 4004016
Preview
Coordinates | 4004016.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H20 Bi Br6 N2 O2 Rb |
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Calculated formula | C8 H20 Bi Br6 N2 O2 Rb |
Title of publication | Coexisting Ferroelectric and Ferroelastic Orders in Rare 3D Homochiral Hybrid Bimetal Halides |
Authors of publication | He, Lei; Shi, Ping-Ping; Zhou, Lin; Liu, Zhi-Bo; Zhang, Wen; Ye, Qiong |
Journal of publication | Chemistry of Materials |
Year of publication | 2021 |
a | 8.8725 ± 0.0014 Å |
b | 14.4071 ± 0.0017 Å |
c | 9.6558 ± 0.0014 Å |
α | 90° |
β | 113.403 ± 0.018° |
γ | 90° |
Cell volume | 1132.7 ± 0.3 Å3 |
Cell temperature | 423 ± 2 K |
Ambient diffraction temperature | 423 ± 2 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.2858 |
Residual factor for significantly intense reflections | 0.2127 |
Weighted residual factors for significantly intense reflections | 0.4561 |
Weighted residual factors for all reflections included in the refinement | 0.4898 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
267750 (current) | 2021-07-27 | cif/ Adding structures of 4004016 via cif-deposit CGI script. |
4004016.cif |
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Users of the data should acknowledge the original authors of the
structural data.