Crystallography Open Database

Information card for entry 1547322

Preview

Coordinates	1547322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4.73 H4 Cu0.18 N0.73 O1.09 Se0.18
Calculated formula	C4.72727 H4 Cu0.181818 N0.727273 O1.09091 Se0.181818
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	17.924 ± 0.013 Å
b	12.236 ± 0.013 Å
c	13.253 ± 0.015 Å
α	90°
β	120.69 ± 0.03°
γ	90°
Cell volume	2500 ± 4 Å³
Cell temperature	353 ± 2 K
Ambient diffraction temperature	353 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0616
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1206
Weighted residual factors for all reflections included in the refinement	0.1281
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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
201236 (current)	2017-09-25	cif/ Adding structures of 1547322 via cif-deposit CGI script.	1547322.cif