Crystallography Open Database

Information card for entry 7127115

Preview

Coordinates	7127115.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu3 F N O10 Pb Se2
Calculated formula	Cu3 F N O10 Pb Se2
Title of publication	Pb(OF)Cu<sub>3</sub>(SeO<sub>3</sub>)<sub>2</sub>(NO<sub>3</sub>): a selenite fluoride nitrate with a breathing kagomé lattice.
Authors of publication	Zhang, Mengsi; Zhao, Zhiying; Zhang, Wanwan; Li, Jinyang; Huang, Xiaoying; He, Zhangzhen
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	80
Pages of publication	11965 - 11968
a	6.6973 ± 0.0001 Å
b	6.6973 ± 0.0001 Å
c	18.5548 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	720.753 ± 0.019 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	160
Hermann-Mauguin space group symbol	R 3 m :H
Hall space group symbol	R 3 -2"
Residual factor for all reflections	0.0146
Residual factor for significantly intense reflections	0.0146
Weighted residual factors for significantly intense reflections	0.0355
Weighted residual factors for all reflections included in the refinement	0.0355
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation probe	x-ray
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
260664 (current)	2021-01-07	cif/ Updating files of 7127115 Original log message: Adding full bibliography for 7127115.cif.	7127115.cif
255635	2020-08-26	cif/ Adding structures of 7127115 via cif-deposit CGI script.	7127115.cif