Crystallography Open Database

Information card for entry 7708607

Preview

Coordinates	7708607.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H26 N4 O2 S2 Zn
Calculated formula	C40 H26 N4 O2 S2 Zn
SMILES	[Zn]12(Oc3c(C=[N]2c2ccccc2)cccc3c2sc3c(n2)cccc3)Oc2c(cccc2c2sc3c(cccc3)n2)C=[N]1c1ccccc1
Title of publication	Multi-stimuli-responsive Zn(II)-Schiff base complexes adjusted by rotatable aromatic rings
Authors of publication	Zheng, Han-Wen; Yang, Dong-Dong; Liang, Qiong-Fang; Zheng, Xiangjun
Journal of publication	Dalton Transactions
Year of publication	2021
a	11.4929 ± 0.0005 Å
b	12.7136 ± 0.0005 Å
c	13.859 ± 0.0004 Å
α	66.694 ± 0.004°
β	89.324 ± 0.003°
γ	65.169 ± 0.004°
Cell volume	1658.66 ± 0.14 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0499
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1169
Weighted residual factors for all reflections included in the refinement	0.1211
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation probe	x-ray
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
270119 (current)	2021-10-29	cif/ Adding structures of 7708607, 7708608, 7708609 via cif-deposit CGI script.	7708607.cif