Crystallography Open Database

Information card for entry 4514402

Preview

Coordinates	4514402.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H19 Cl4 N6 O Zn2
Calculated formula	C32 H20 Cl4 N6 Zn2
SMILES	[Zn]1(Cl)(Cl)[n]2c3c4[n]1cccc4ccc3ccc2Cn1c2ccccc2[n]2[Zn]3(Cl)(Cl)[n]4c(c12)ccc1ccc2c([n]3ccc2)c41
Title of publication	Hot-Pressing Method To Prepare Imidazole-Based Zn(II) Metal-Organic Complexes Coatings for Highly Efficient Air Filtration.
Authors of publication	Wang, Ani; Fan, Ruiqing; Zhou, Xuesong; Hao, Sue; Zheng, Xubin; Yang, Yulin
Journal of publication	ACS applied materials & interfaces
Year of publication	2018
Journal volume	10
Journal issue	11
Pages of publication	9744 - 9755
a	9.237 ± 0.011 Å
b	14.35 ± 0.017 Å
c	15.229 ± 0.018 Å
α	64.097 ± 0.015°
β	89.123 ± 0.015°
γ	81.153 ± 0.015°
Cell volume	1791 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1775
Residual factor for significantly intense reflections	0.079
Weighted residual factors for significantly intense reflections	0.2123
Weighted residual factors for all reflections included in the refinement	0.267
Goodness-of-fit parameter for all reflections included in the refinement	1.178
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
227498 (current)	2019-11-12	cif/ Updating files of 4514402 Original log message: Adding full bibliography for 4514402.cif.	4514402.cif
206960	2018-03-16	cif/ Adding structures of 4514402 via cif-deposit CGI script.	4514402.cif