Crystallography Open Database

Information card for entry 7247178

Preview

Coordinates	7247178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H28 Co Li N8 O14
Calculated formula	C5.9994 Co Li N7.9998 O13.9998
Title of publication	A room-temperature nitrite-based hybrid bimetal molecular ferroelectric material: [(R)-3-quinuclidinol]2[LiCo(NO2)6]
Authors of publication	Yue, Zhi-Yuan; Liao, Rong-Meng; Luo, Wang; Wang, Na; Miao, Le-Ping; Ye, Heng-Yun; Shi, Chao
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	36
Pages of publication	5085 - 5091
a	9.9786 ± 0.0003 Å
b	9.9786 ± 0.0003 Å
c	7.0265 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	605.91 ± 0.04 Å³
Cell temperature	350 ± 15 K
Ambient diffraction temperature	350 ± 15 K
Number of distinct elements	6
Space group number	150
Hermann-Mauguin space group symbol	P 3 2 1
Hall space group symbol	P 3 2"
Residual factor for all reflections	0.1227
Residual factor for significantly intense reflections	0.115
Weighted residual factors for significantly intense reflections	0.2907
Weighted residual factors for all reflections included in the refinement	0.2977
Goodness-of-fit parameter for all reflections included in the refinement	1.332
Diffraction radiation probe	x-ray
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
286733 (current)	2023-10-06	cif/ Updating files of 7247177, 7247178 Original log message: Adding full bibliography for 7247177--7247178.cif.	7247178.cif
285585	2023-08-09	cif/ Adding structures of 7247177, 7247178 via cif-deposit CGI script.	7247178.cif