Crystallography Open Database

Information card for entry 4517670

Preview

Coordinates	4517670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 N2 O8 Zn
Calculated formula	C28 H22 N2 O8 Zn
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	7.6701 ± 0.0005 Å
b	11.3348 ± 0.0008 Å
c	15.8956 ± 0.0012 Å
α	76.693 ± 0.003°
β	84.984 ± 0.002°
γ	73.199 ± 0.002°
Cell volume	1287.11 ± 0.16 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0667
Weighted residual factors for all reflections included in the refinement	0.0723
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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.	4517670.cif
252054	2020-05-14	cif/ Adding structures of 4517663, 4517664, 4517665, 4517666, 4517667, 4517668, 4517669, 4517670, 4517671 via cif-deposit CGI script.	4517670.cif