Crystallography Open Database

Information card for entry 7229924

Preview

Coordinates	7229924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H32 Br2 Cu6 I6 N4
Calculated formula	C16 H32 Br2 Cu6 I6 N4
Title of publication	A pillared-layered copper(i) halide-based metal‒organic framework exhibiting dual emission, and piezochromic and thermochromic properties with a large temperature-dependent emission red-shift
Authors of publication	Xin, Bingjing; Sang, Jianwei; Gao, Yi; Li, Guanghua; Shi, Zhan; Feng, Shouhua
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	4
Pages of publication	1973
a	9.715 ± 0.0019 Å
b	9.887 ± 0.002 Å
c	10.541 ± 0.002 Å
α	62.33 ± 0.03°
β	66.13 ± 0.03°
γ	84.03 ± 0.03°
Cell volume	815.6 ± 0.4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0529
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1175
Weighted residual factors for all reflections included in the refinement	0.1206
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
204973 (current)	2018-01-09	cif/ Adding structures of 7229923, 7229924 via cif-deposit CGI script.	7229924.cif