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Information card for entry 7042401
Preview
Coordinates | 7042401.cif |
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Original paper (by DOI) | HTML |
Formula | C6 H21 Br8 Cd N3 |
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Calculated formula | C1.09091 H3.81818 Br1.45455 Cd0.181818 N0.545455 |
Title of publication | High-temperature structural phase transition coupled with dielectric switching in an organic-inorganic hybrid crystal: [NH3(CH2)2Br]3CdBr5. |
Authors of publication | Chen, Hai-Peng; Wang, Zhong-Xia; Chen, Cheng; Lu, Yang; Yin, Zi; Sun, Xiao-Fen; Fu, Da-Wei |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 14 |
Pages of publication | 4711 - 4716 |
a | 23.92 ± 0.04 Å |
b | 7.927 ± 0.009 Å |
c | 23.6 ± 0.03 Å |
α | 90° |
β | 102.41 ± 0.02° |
γ | 90° |
Cell volume | 4370 ± 10 Å3 |
Cell temperature | 373 ± 2 K |
Ambient diffraction temperature | 373 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1177 |
Residual factor for significantly intense reflections | 0.0736 |
Weighted residual factors for significantly intense reflections | 0.1838 |
Weighted residual factors for all reflections included in the refinement | 0.2222 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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