Crystallography Open Database

Information card for entry 8105048

Preview

Coordinates	8105048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H15 N O8 S Zn
Calculated formula	C13 H15 N O8 S Zn
Title of publication	Crystal structure of bis[triaqua-(μ2-1,2-di(4-pyridyl)ethylene-κ2N:N′)-(4-sulfonatobenzoato-κ2O,O′)zinc(II)], C13H15NO8SZn
Authors of publication	Li, Xiao-Ling; Xin, Ling-Yun; Yu, Yue-Yi; Yang, Qing-Qing; Liu, Meng-Ke
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	235
Journal issue	1
Pages of publication	169 - 170
a	12.3456 ± 0.0003 Å
b	13.768 ± 0.0004 Å
c	19.9125 ± 0.0005 Å
α	90°
β	107.051 ± 0.002°
γ	90°
Cell volume	3235.84 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0399
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0779
Weighted residual factors for all reflections included in the refinement	0.0819
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation probe	x-ray
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
274383 (current)	2022-04-06	cif/ Adding structures of 8105048 via cif-deposit CGI script.	8105048.cif