Crystallography Open Database

Information card for entry 4517665

Preview

Coordinates	4517665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H11 F3 N O2 Zn0.5
Calculated formula	C16 H11 F3 N O2 Zn0.5
Title of publication	Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.
Authors of publication	Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei
Journal of publication	ACS applied materials & interfaces
Year of publication	2020
Journal volume	12
Journal issue	21
Pages of publication	24141 - 24148
a	29.1423 ± 0.0011 Å
b	5.7957 ± 0.0002 Å
c	18.3519 ± 0.0006 Å
α	90°
β	102.93 ± 0.001°
γ	90°
Cell volume	3021.04 ± 0.18 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 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	0.0766
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1325
Weighted residual factors for all reflections included in the refinement	0.1475
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
252588 (current)	2020-06-04	cif/ Updating files of 4517663, 4517664, 4517665, 4517666, 4517667, 4517668, 4517669, 4517670, 4517671 Original log message: Adding full bibliography for 4517663--4517671.cif.	4517665.cif
252054	2020-05-14	cif/ Adding structures of 4517663, 4517664, 4517665, 4517666, 4517667, 4517668, 4517669, 4517670, 4517671 via cif-deposit CGI script.	4517665.cif