Crystallography Open Database

Information card for entry 7700078

Preview

Coordinates	7700078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H10 Cu2 I3 N
Calculated formula	C7 H10 Cu2 I3 N
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	16.9103 ± 0.0011 Å
b	6.3543 ± 0.0004 Å
c	12.5868 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1352.49 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0258
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0495
Weighted residual factors for all reflections included in the refinement	0.0513
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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.	7700078.cif
215514	2019-05-25	cif/ Adding structures of 7700077, 7700078, 7700079, 7700080, 7700081 via cif-deposit CGI script.	7700078.cif