Crystallography Open Database

Information card for entry 4513872

Preview

Coordinates	4513872.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H32 N4 O9 Zn2
Calculated formula	C51 H32 N4 O9 Zn2
Title of publication	Lewis Acid Activation of a Hydrogen Bond Donor Metal‒Organic Framework for Catalysis
Authors of publication	Hall, Edward A.; Redfern, Louis R.; Wang, Michael H.; Scheidt, Karl A.
Journal of publication	ACS Catalysis
Year of publication	2016
Journal volume	6
Journal issue	5
Pages of publication	3248
a	36.0683 ± 0.0019 Å
b	36.0683 ± 0.0019 Å
c	27.0566 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	35199 ± 3 Å³
Cell temperature	99.99 K
Ambient diffraction temperature	99.99 K
Number of distinct elements	5
Space group number	136
Hermann-Mauguin space group symbol	P 42/m n m
Hall space group symbol	-P 4n 2n
Residual factor for all reflections	0.2038
Residual factor for significantly intense reflections	0.1212
Weighted residual factors for significantly intense reflections	0.3688
Weighted residual factors for all reflections included in the refinement	0.4101
Goodness-of-fit parameter for all reflections included in the refinement	0.968
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
183561 (current)	2016-06-17	cif/ Updating files of 4513872 Original log message: Adding full bibliography for 4513872.cif.	4513872.cif
182267	2016-04-28	cif/ Adding structures of 4513872 via cif-deposit CGI script.	4513872.cif