Crystallography Open Database

Information card for entry 4135110

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Coordinates	4135110.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	23.256 ± 0.006 Å
b	23.214 ± 0.006 Å
c	17.011 ± 0.004 Å
α	90°
β	116.955 ± 0.007°
γ	90°
Cell volume	8186 ± 4 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 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	0.1685
Residual factor for significantly intense reflections	0.0941
Weighted residual factors for significantly intense reflections	0.2098
Weighted residual factors for all reflections included in the refinement	0.246
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
254191 (current)	2020-07-11	cif/ Adding structures of 4135110 via cif-deposit CGI script.	4135110.cif