Crystallography Open Database

Information card for entry 7229742

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Coordinates	7229742.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H11 Br Cl N O4
Calculated formula	C4 H11 Br Cl N O4
Title of publication	High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4]
Authors of publication	Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	4
Pages of publication	454
a	6.1256 ± 0.0012 Å
b	7.9158 ± 0.0016 Å
c	9.5663 ± 0.0019 Å
α	90°
β	103.29 ± 0.03°
γ	90°
Cell volume	451.44 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.037
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0728
Weighted residual factors for all reflections included in the refinement	0.0761
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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