Crystallography Open Database

Information card for entry 7060984

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Coordinates	7060984.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H24 Br6 In N3
Calculated formula	C6 H24 Br6 In N3
Title of publication	(C2H5NH3)3[InBr6]: an indium(III) organic-inorganic hybrid phase transition compound exhibiting switchable dielectric response
Authors of publication	Zhang, Yin-Qiang; Xu, Guan-Cheng; Luo, Yan
Journal of publication	New Journal of Chemistry
Year of publication	2021
a	22.5327 ± 0.0014 Å
b	7.8741 ± 0.0006 Å
c	23.2252 ± 0.0013 Å
α	90°
β	105.655 ± 0.002°
γ	90°
Cell volume	3967.9 ± 0.5 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 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	0.049
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.1028
Weighted residual factors for all reflections included in the refinement	0.1074
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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