Crystallography Open Database

Information card for entry 7242088

7242087 << 7242088 >> 7242089

Preview

Coordinates	7242088.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H38 N28 O14 Zn3
Calculated formula	C54 H38 N28 O14 Zn3
Title of publication	Synthesis, structure, and fluorescence properties of coordination polymers of 3,5-bis(1′,2′,4′-triazol-1′-yl) pyridine
Authors of publication	Yu, Huaguang; Sun, Jing
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	8
Pages of publication	1744 - 1755
a	10.1603 ± 0.0005 Å
b	11.7436 ± 0.0005 Å
c	13.3228 ± 0.0006 Å
α	81.308 ± 0.001°
β	73.137 ± 0.001°
γ	88.206 ± 0.001°
Cell volume	1503.7 ± 0.12 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0617
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.106
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
262558 (current)	2021-03-05	cif/ Updating files of 7242085, 7242086, 7242087, 7242088 Original log message: Adding full bibliography for 7242085--7242088.cif.	7242088.cif
260994	2021-01-16	cif/ Adding structures of 7242085, 7242086, 7242087, 7242088 via cif-deposit CGI script.	7242088.cif