Crystallography Open Database

Information card for entry 4514261

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Coordinates	4514261.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H100 Co4 N16 O44
Calculated formula	C32 H44 Co4 N16 O24.4
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	19.368 ± 0.003 Å
b	19.368 ± 0.003 Å
c	20.907 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	7843 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0889
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1531
Weighted residual factors for all reflections included in the refinement	0.1948
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
202553 (current)	2017-11-04	cif/ Adding structures of 4514261 via cif-deposit CGI script.	4514261.cif