Crystallography Open Database

Information card for entry 7700077

Preview

Coordinates	7700077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H18 Cu2 I4 N2
Calculated formula	C8 H18 Cu2 I4 N2
Title of publication	Organic cation directed one-dimensional cuprous halide compounds: syntheses, crystal structures and photoluminescence properties.
Authors of publication	Yue, Cheng-Yang; Lin, Na; Gao, Lu; Jin, Ying-Xue; Liu, Zhao-Yang; Cao, Yao-Yao; Han, Sha-Sha; Lian, Xi-Kai; Hu, Bing; Lei, Xiao-Wu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	27
Pages of publication	10151 - 10159
a	9.2225 ± 0.0009 Å
b	10.9983 ± 0.0011 Å
c	17.4996 ± 0.0014 Å
α	90°
β	117.861 ± 0.004°
γ	90°
Cell volume	1569.3 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0806
Residual factor for significantly intense reflections	0.0648
Weighted residual factors for significantly intense reflections	0.2193
Weighted residual factors for all reflections included in the refinement	0.2323
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
223874 (current)	2019-11-07	cif/ Updating files of 7700077, 7700078, 7700079, 7700080, 7700081 Original log message: Adding full bibliography for 7700077--7700081.cif.	7700077.cif
215514	2019-05-25	cif/ Adding structures of 7700077, 7700078, 7700079, 7700080, 7700081 via cif-deposit CGI script.	7700077.cif