Crystallography Open Database

Information card for entry 4132564

Preview

Coordinates	4132564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H48 N12 Ni3 O32 Zr6
Calculated formula	C72 H48 N12 Ni3 O32 Zr6
Title of publication	Exposed Equatorial Positions of Metal Centers via Sequential Ligand Elimination and Installation in MOFs.
Authors of publication	Yuan, Shuai; Zhang, Peng; Zhang, Liangliang; Garcia-Esparza, Angel T; Sokaras, Dimosthenis; Qin, Jun-Sheng; Feng, Liang; Day, Gregory S.; Chen, Wenmiao; Drake, Hannah F.; Elumalai, Palani; Madrahimov, Sherzod T.; Sun, Daofeng; Zhou, Hong-Cai
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	34
Pages of publication	10814 - 10819
a	29.365 Å
b	29.365 Å
c	29.365 Å
α	90°
β	90°
γ	90°
Cell volume	25321.5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0855
Residual factor for significantly intense reflections	0.0823
Weighted residual factors for significantly intense reflections	0.2515
Weighted residual factors for all reflections included in the refinement	0.2594
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
242524 (current)	2019-11-26	cif/ Adding structures of 4132564, 4132565, 4132566, 4132567, 4132568, 4132569, 4132570 via cif-deposit CGI script.	4132564.cif