Crystallography Open Database

Information card for entry 4514264

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Coordinates	4514264.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H102 Co4 N16 O41
Calculated formula	C36 H44 Co4 N16 O24.34
Title of publication	Tuning Gas Adsorption Properties of Zeolite-like Supramolecular Assemblies with gis Topology via Functionalization of Isoreticular Metal-Organic Squares.
Authors of publication	Wang, Shuang; Belmabkhout, Youssef; Cairns, Amy J.; Li, Guanghua; Huo, Qisheng; Liu, Yunling; Eddaoudi, Mohamed
Journal of publication	ACS applied materials & interfaces
Year of publication	2017
Journal volume	9
Journal issue	39
Pages of publication	33521 - 33527
a	19.959 ± 0.003 Å
b	19.959 ± 0.003 Å
c	20.408 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	8130 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	141
Hermann-Mauguin space group symbol	I 41/a m d :2
Hall space group symbol	-I 4bd 2
Residual factor for all reflections	0.0885
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1706
Weighted residual factors for all reflections included in the refinement	0.1914
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
202556 (current)	2017-11-04	cif/ Adding structures of 4514264 via cif-deposit CGI script.	4514264.cif