Crystallography Open Database

Information card for entry 7231478

Preview

Coordinates	7231478.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H11 Cl4 Cu N
Calculated formula	C4 H11 Cl4 Cu N
Title of publication	Switchable dielectric phase transition behaviors in two organic‒inorganic copper(ii) halides with distinct coordination geometries
Authors of publication	Mei, Ying-Xuan; Hua, Xiu-Ni; Gao, Ji-Xing; Liao, Wei-Qiang
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	40
Pages of publication	6261
a	6.3887 ± 0.0013 Å
b	8.7893 ± 0.0018 Å
c	9.6997 ± 0.0019 Å
α	66.57 ± 0.03°
β	82.91 ± 0.03°
γ	79 ± 0.03°
Cell volume	489.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0236
Residual factor for significantly intense reflections	0.0211
Weighted residual factors for significantly intense reflections	0.0502
Weighted residual factors for all reflections included in the refinement	0.0511
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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