Crystallography Open Database

Information card for entry 4326298

Preview

Coordinates	4326298.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H36 Cu3 O15
Calculated formula	C54 H30 Cu3 O15
Title of publication	Isoreticular Expansion of Metal-Organic Frameworks with Triangular and Square Building Units and the Lowest Calculated Density for Porous Crystals
Authors of publication	Hiroyasu Furukawa; Yong Bok Go; Nakeun Ko; Young Kwan Park; Fernando J. Uribe-Romo; Jaheon Kim; Michael O'Keeffe; Omar M. Yaghi
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	9147 - 9152
a	27.4719 ± 0.0014 Å
b	27.4719 ± 0.0014 Å
c	27.4719 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	20733.2 ± 1.8 Å³
Cell temperature	258 ± 2 K
Ambient diffraction temperature	258 ± 2 K
Number of distinct elements	4
Space group number	223
Hermann-Mauguin space group symbol	P m -3 n
Hall space group symbol	-P 4n 2 3
Residual factor for all reflections	0.1836
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1358
Weighted residual factors for all reflections included in the refinement	0.1788
Goodness-of-fit parameter for all reflections included in the refinement	0.984
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
179365 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/62.	4326298.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326298.cif
47351	2012-03-23	../uploads/cif-deposit/cod/cif Adding structures of 4326298 via cif-deposit CGI script.	4326298.cif