Crystallography Open Database

Information card for entry 1547332

Preview

Coordinates	1547332.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 Cu0.67 N2.67 O4 Se0.67
Calculated formula	C18 H16 Cu0.666667 N2.66667 O4 Se0.666667
Title of publication	Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems
Authors of publication	Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong
Journal of publication	Nature Communications
Year of publication	2017
Journal volume	8
Pages of publication	14551
a	17.551 ± 0.006 Å
b	13.239 ± 0.006 Å
c	13.305 ± 0.005 Å
α	90°
β	123.3 ± 0.03°
γ	90°
Cell volume	2584 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0554
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1181
Weighted residual factors for all reflections included in the refinement	0.1264
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
201246 (current)	2017-09-25	cif/ Adding structures of 1547332 via cif-deposit CGI script.	1547332.cif