Crystallography Open Database

Information card for entry 4125678

Preview

Coordinates	4125678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C154 H154 N17 O50 Y9 Zn3
Calculated formula	C144 H72 N12 O50 Y9 Zn3
Title of publication	Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.
Authors of publication	Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	8
Pages of publication	3265 - 3274
a	22.779 ± 0.002 Å
b	22.779 ± 0.002 Å
c	17.808 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	8002.3 ± 1.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	191
Hermann-Mauguin space group symbol	P 6/m m m
Hall space group symbol	-P 6 2
Residual factor for all reflections	0.1386
Residual factor for significantly intense reflections	0.1283
Weighted residual factors for significantly intense reflections	0.267
Weighted residual factors for all reflections included in the refinement	0.2693
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
193075 (current)	2017-03-04	cif/ Adding structures of 4125678 via cif-deposit CGI script.	4125678.cif