Crystallography Open Database

Information card for entry 7229923

Preview

Coordinates	7229923.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	9.856 ± 0.002 Å
b	9.951 ± 0.002 Å
c	10.625 ± 0.002 Å
α	62.77 ± 0.03°
β	64.9 ± 0.03°
γ	84.22 ± 0.03°
Cell volume	833.4 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0696
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1433
Weighted residual factors for all reflections included in the refinement	0.1528
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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.	7229923.cif