Crystallography Open Database

Information card for entry 7249716

Preview

Coordinates	7249716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Fe N4 O10
Calculated formula	C12 H8 Fe N4 O10
Title of publication	Exploration of a one-dimensional iron-based coordination polymer for enhanced lithium storage capabilities
Authors of publication	Liu, Jingwei; Cheng, Xiaolong; Dang, Shifa; Kong, Weile; Zheng, Mengxian; Zhang, Lei; Wu, Shuangyan; Liu, Ning; Cao, Jinchao
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	5
Pages of publication	687 - 694
a	14.9219 ± 0.0019 Å
b	8.4923 ± 0.0007 Å
c	13.0852 ± 0.0017 Å
α	90°
β	118.145 ± 0.017°
γ	90°
Cell volume	1462.1 ± 0.4 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0707
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.1241
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
298185 (current)	2025-03-04	cif/ Updating files of 7249716 Original log message: Adding full bibliography for 7249716.cif.	7249716.cif
296981	2024-12-28	cif/ Adding structures of 7249716 via cif-deposit CGI script.	7249716.cif