Crystallography Open Database

Information card for entry 4518583

Preview

Coordinates	4518583.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H29 N2 Ni4 O23.5
Calculated formula	C28 H29 N2 Ni4 O23.5
Title of publication	Different Phenomena in Magnetic/Electrical Properties of Co(II) and Ni(II) Isomorphous MOFs
Authors of publication	Li, Shi-Fen; Wang, Quan; Li, Ye-Ping; Geng, Xiao; Zhao, LiJia; He, Mei; Du, Lin; Zhao, Qi-Hua
Journal of publication	ACS Omega
Year of publication	2021
a	8.9744 ± 0.0003 Å
b	11.0999 ± 0.0003 Å
c	11.1627 ± 0.0003 Å
α	79.842 ± 0.001°
β	84.411 ± 0.001°
γ	80.144 ± 0.001°
Cell volume	1075.8 ± 0.05 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0401
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0809
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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