Crystallography Open Database

Information card for entry 7243095

Preview

Coordinates	7243095.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31.25 H27.25 N6.25 O8.25 Zn
Calculated formula	C31.25 H25.25 N6.25 O8.25 Zn
Title of publication	Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties
Authors of publication	Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	31
Pages of publication	5293 - 5305
a	10.2125 ± 0.0013 Å
b	11.4153 ± 0.0015 Å
c	15.21 ± 0.002 Å
α	95.508 ± 0.004°
β	102.091 ± 0.004°
γ	104.351 ± 0.003°
Cell volume	1659.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.092
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1746
Weighted residual factors for all reflections included in the refinement	0.1989
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
268668 (current)	2021-09-06	cif/ Updating files of 7243093, 7243094, 7243095, 7243096, 7243097, 7243098, 7243099 Original log message: Adding full bibliography for 7243093--7243099.cif.	7243095.cif
266649	2021-06-24	cif/ Adding structures of 7243093, 7243094, 7243095, 7243096, 7243097, 7243098, 7243099 via cif-deposit CGI script.	7243095.cif