Crystallography Open Database

Information card for entry 7058175

Preview

Coordinates	7058175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H72 Cl6 Gd N11 O28 Zn4
Calculated formula	C76 H72 Cl6 Gd N11 O28 Zn4
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	16.9752 ± 0.0018 Å
b	23.09 ± 0.002 Å
c	24.837 ± 0.003 Å
α	90°
β	111.3 ± 0.002°
γ	90°
Cell volume	9070.1 ± 1.7 Å³
Cell temperature	153.15 K
Ambient diffraction temperature	153.15 K
Number of distinct elements	7
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	0.1328
Residual factor for significantly intense reflections	0.0846
Weighted residual factors for significantly intense reflections	0.1698
Weighted residual factors for all reflections included in the refinement	0.1923
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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.	7058175.cif
213678	2019-02-16	cif/ Adding structures of 7058171, 7058172, 7058173, 7058174, 7058175, 7058176 via cif-deposit CGI script.	7058175.cif