Crystallography Open Database

Information card for entry 7058171

Preview

Coordinates	7058171.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H36 Cl2 N4 O13 Zn3
Calculated formula	C39 H36 Cl2 N4 O13 Zn3
Title of publication	Structurally characterized homo-trinuclear ZnII and hetero-pentanuclear [ZnII4LnIII] complexes constructed from an octadentate bis(Salamo)-based ligand: Hirshfeld surfaces, fluorescence and catalytic properties
Authors of publication	Li, Xiao-Yan; Kang, Quan-Peng; Liu, Chang; Zhang, Yang; Dong, Wen-Kui
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	11
Pages of publication	4605
a	15.7572 ± 0.0009 Å
b	16.4079 ± 0.0009 Å
c	16.4852 ± 0.0009 Å
α	90.038 ± 0.002°
β	104.887 ± 0.002°
γ	97.172 ± 0.002°
Cell volume	4084.5 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 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	0.0691
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1233
Weighted residual factors for all reflections included in the refinement	0.1347
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224983 (current)	2019-11-08	cif/ Updating files of 7058171, 7058172, 7058173, 7058174, 7058175, 7058176 Original log message: Adding full bibliography for 7058171--7058176.cif.	7058171.cif
213678	2019-02-16	cif/ Adding structures of 7058171, 7058172, 7058173, 7058174, 7058175, 7058176 via cif-deposit CGI script.	7058171.cif