Crystallography Open Database

Information card for entry 7712631

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Coordinates	7712631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H14 Cu2 I3 N
Calculated formula	C5 H14 Cu2 I3 N
Title of publication	A {Cu2I3−}∞ Chain Hybrid with Two-step Phase Transition, Switchable Dielectrics, Thermochromism and Piezochromism
Authors of publication	Li, Qing-Qing; Pan, Xue-Wei; Zhai, Lu; Zhang, Jin; Ren, Xiaoming
Journal of publication	Dalton Transactions
Year of publication	2023
a	8.3083 ± 0.0006 Å
b	9.6704 ± 0.0007 Å
c	9.9142 ± 0.0006 Å
α	60.925 ± 0.002°
β	83.001 ± 0.002°
γ	85.12 ± 0.002°
Cell volume	690.68 ± 0.08 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0842
Residual factor for significantly intense reflections	0.0791
Weighted residual factors for significantly intense reflections	0.2173
Weighted residual factors for all reflections included in the refinement	0.2237
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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