Crystallography Open Database

Information card for entry 4132565

Preview

Coordinates	4132565.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H48 N12 O32 Pd3 Zr6
Calculated formula	C72 H48 N12 O32 Pd3 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	29.482 Å
b	29.482 Å
c	29.482 Å
α	90°
β	90°
γ	90°
Cell volume	25625.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 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	0.1785
Residual factor for significantly intense reflections	0.103
Weighted residual factors for significantly intense reflections	0.2506
Weighted residual factors for all reflections included in the refinement	0.2886
Goodness-of-fit parameter for all reflections included in the refinement	0.96
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.	4132565.cif