Crystallography Open Database

Information card for entry 7241455

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Coordinates	7241455.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H18 Cl3 N3
Calculated formula	C6 H18 Cl3 N3
Title of publication	A high-Tc organic-ionic phase transition crystal obtained from a trivalent cation
Authors of publication	Liu, Yu-Hua; Liu, Jun-Chao; Peng, Hang; Huang, Xue-Qin; Liao, Wei-Qiang; Wang, Zhong-Xia
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	2
Pages of publication	264 - 267
a	10.9842 ± 0.0003 Å
b	7.9342 ± 0.0002 Å
c	25.1271 ± 0.0007 Å
α	90°
β	91.717 ± 0.002°
γ	90°
Cell volume	2188.86 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1442
Weighted residual factors for all reflections included in the refinement	0.1507
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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