Crystallography Open Database

Information card for entry 4135108

Preview

Coordinates	4135108.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H84 N8 Ni2 O16
Calculated formula	C72 H76 N8 Ni2 O16
Title of publication	Constructing Asymmetrical Ni-Centered {NiN2O4} Octahedra in Layered Metal-Organic Structures for Near-Room-Temperature Single-Phase Magnetoelectricity.
Authors of publication	Mao, Kaihui; Zhang, Jinlei; Guo, Zijing; Liu, Lizhe; Ma, He; Chin, Yiying; Lin, Hong-Ji; Bao, Songsong; Xie, Hangqing; Yang, Run; Jing, Zhaoyang; Shen, Jiancang; Yuan, Guoliang; Chen, Jian; Wu, Peiheng; Wu, Xinglong
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	23.196 ± 0.004 Å
b	23.143 ± 0.005 Å
c	16.933 ± 0.003 Å
α	90°
β	117.36 ± 0.004°
γ	90°
Cell volume	8073 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0932
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for significantly intense reflections	0.1793
Weighted residual factors for all reflections included in the refinement	0.1941
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
254189 (current)	2020-07-11	cif/ Adding structures of 4135108 via cif-deposit CGI script.	4135108.cif