Crystallography Open Database

Information card for entry 7243127

Preview

Coordinates	7243127.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H6 N4 Ni O4
Calculated formula	C8 H7 N4 Ni O4
Title of publication	Electrochemiluminescence properties and luminescence sensing of four novel polymers derived from 3-(pyrazin-2-yl)-1H-pyrazole-5-carboxylic acid
Authors of publication	Hua, Feng-Zhen; Feng, Chao; Zhang, Ling-Mei; Yang, Yu-Meng; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	32
Pages of publication	5463 - 5474
a	8.5821 ± 0.001 Å
b	13.578 ± 0.0011 Å
c	9.2842 ± 0.0011 Å
α	90°
β	116.067 ± 0.015°
γ	90°
Cell volume	971.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0712
Weighted residual factors for all reflections included in the refinement	0.0761
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268650 (current)	2021-09-06	cif/ Updating files of 7243125, 7243126, 7243127, 7243128 Original log message: Adding full bibliography for 7243125--7243128.cif.	7243127.cif
266922	2021-07-03	cif/ Adding structures of 7243125, 7243126, 7243127, 7243128 via cif-deposit CGI script.	7243127.cif