Crystallography Open Database

Information card for entry 8105454

Preview

Coordinates	8105454.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H15 Cl Mn0.5 N4 O3.5
Calculated formula	C20 H15 Cl Mn0.5 N4 O3.5
Title of publication	Crystal structure of dichlorido-bis[2-(2-(3-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl)phenoxy)benzoic acidmanganese(II) monohydrate, C40H30N8O7MnCl2
Authors of publication	Xu, Qiang; Zhang, Hong Yan; Luo, Xiao fang; Li, Guo qiang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	6
Pages of publication	1315 - 1317
a	13.0864 ± 0.0007 Å
b	25.6216 ± 0.0009 Å
c	12.2253 ± 0.0007 Å
α	90°
β	112.027 ± 0.006°
γ	90°
Cell volume	3799.9 ± 0.4 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	0.0586
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.092
Weighted residual factors for all reflections included in the refinement	0.1001
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
276153 (current)	2022-06-22	cif/ Adding structures of 8105454 via cif-deposit CGI script.	8105454.cif