Crystallography Open Database

Information card for entry 7247177

Preview

Coordinates	7247177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H28 Co Li N8 O14
Calculated formula	C14 H26 Co Li N8 O14
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	17.0535 ± 0.0006 Å
b	10.0663 ± 0.0004 Å
c	6.9926 ± 0.0002 Å
α	90°
β	91.543 ± 0.003°
γ	90°
Cell volume	1199.95 ± 0.07 Å³
Cell temperature	296.89 ± 0.15 K
Ambient diffraction temperature	296.89 ± 0.15 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1025
Residual factor for significantly intense reflections	0.0967
Weighted residual factors for significantly intense reflections	0.274
Weighted residual factors for all reflections included in the refinement	0.2827
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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.	7247177.cif
285585	2023-08-09	cif/ Adding structures of 7247177, 7247178 via cif-deposit CGI script.	7247177.cif