Crystallography Open Database

Information card for entry 4517671

Preview

Coordinates	4517671.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H37 N2 O16 Zn2
Calculated formula	C52 H37 N2 O16 Zn2
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	7.95 ± 0.04 Å
b	15.86 ± 0.07 Å
c	21.62 ± 0.09 Å
α	71.45 ± 0.08°
β	80.84 ± 0.07°
γ	79.61 ± 0.08°
Cell volume	2527 ± 2 Å³
Cell temperature	293 ± 2 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	0.2029
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.124
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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.	4517671.cif
252054	2020-05-14	cif/ Adding structures of 4517663, 4517664, 4517665, 4517666, 4517667, 4517668, 4517669, 4517670, 4517671 via cif-deposit CGI script.	4517671.cif