Crystallography Open Database

Information card for entry 8106600

Preview

Coordinates	8106600.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H31 Cl2 N5 O5 S2 Zn
Calculated formula	C43 H31 Cl2 N5 O5 S2 Zn
Title of publication	Crystal structure of bis-(1-(4-chlorophenyl)-3-phenyl-4-thenoyl-1H-pyrazol-5-ol-κ2O,O′)-(N,N-dimethylformamide)zinc(II), C43H31Cl2N5O5S2Zn
Authors of publication	Zhao, Chun-Xiang; Ding, Yong-Jie; Zhang, Heng-Qiang; Zhou, Chen-Ying; Wang, Quan-Zhong; Wang, Xin; Zhao, Hui; Chen, Ya-Hong; Xie, Jian-Ping; Wang, Yun-Sheng
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	4
Pages of publication	553 - 555
a	16.9304 ± 0.0008 Å
b	8.9706 ± 0.0005 Å
c	27.6764 ± 0.0014 Å
α	90°
β	96.701 ± 0.001°
γ	90°
Cell volume	4174.7 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0475
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.087
Weighted residual factors for all reflections included in the refinement	0.0935
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
280633 (current)	2023-01-27	cif/ Adding structures of 8106600 via cif-deposit CGI script.	8106600.cif