Crystallography Open Database

Information card for entry 4326299

Preview

Coordinates	4326299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H54 Cu3 N0 O15
Calculated formula	C90 H54 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	68.3112 ± 0.0006 Å
b	68.3112 ± 0.0006 Å
c	68.3112 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	318769 ± 5 Å³
Cell temperature	258 ± 2 K
Ambient diffraction temperature	258 ± 2 K
Number of distinct elements	5
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.257
Residual factor for significantly intense reflections	0.1525
Weighted residual factors for significantly intense reflections	0.439
Weighted residual factors for all reflections included in the refinement	0.4671
Goodness-of-fit parameter for all reflections included in the refinement	1.274
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4326299.html