Crystallography Open Database

Information card for entry 7243108

Preview

Coordinates	7243108.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(2,,6-dimethylpyrazine)CuBr2
Formula	C6 H8 Br2 Cu N2
Calculated formula	C6 H8 Br2 Cu N2
Title of publication	Structure, phase transition and properties of the one-dimensional antiferromagnet Cu(2,6-dimethylpyrazine)Br2
Authors of publication	Ding, Fei; Yang, Chuanlu; Gong, Xiangnan; Zheng, Hui; Zhou, Xiaoyu; Li, Lingli; Zhang, Lichun; Wang, Dehua; Pan, Bingying
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	37
Pages of publication	22565 - 22570
a	8.3552 ± 0.0009 Å
b	8.5782 ± 0.0011 Å
c	6.6959 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	479.91 ± 0.09 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	5
Space group number	59
Hermann-Mauguin space group symbol	P m m n :2
Hall space group symbol	-P 2ab 2a
Residual factor for all reflections	0.0992
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0795
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
266713 (current)	2021-06-26	cif/ Adding structures of 7243108, 7243109 via cif-deposit CGI script.	7243108.cif