Crystallography Open Database

Information card for entry 4106749

Preview

Coordinates	4106749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H22 Cu4 O24
Calculated formula	C42 H22 Cu4 O24
Title of publication	The Quest for Modular Nanocages: tbo-MOF as an Archetype for Mutual Substitution, Functionalization, and Expansion of Quadrangular Pillar Building Blocks
Authors of publication	Jarrod F. Eubank; Hasnaa Mouttaki; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Ryan Luebke; Mohamed Alkordi; Mohamed Eddaoudi
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	14204 - 14207
a	25.042 ± 0.004 Å
b	26.826 ± 0.004 Å
c	30.848 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	20723 ± 6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	69
Hermann-Mauguin space group symbol	F m m m
Hall space group symbol	-F 2 2
Residual factor for all reflections	0.0986
Residual factor for significantly intense reflections	0.0762
Weighted residual factors for significantly intense reflections	0.2391
Weighted residual factors for all reflections included in the refinement	0.252
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.40663 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178813 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/67.	4106749.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106749.cif
53554	2012-04-20	cif/ Adding structures of 4106749 via cif-deposit CGI script.	4106749.cif