Crystallography Open Database

Information card for entry 4505537

Preview

Coordinates	4505537.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H72 O26 Zn8
Calculated formula	C141 H69 O26 Zn8
Title of publication	Two Large-Pore Metal‒Organic Frameworks Derived from a Single Polytopic Strut
Authors of publication	Eryazici, Ibrahim; Farha, Omar K.; Hauser, Brad G.; Yazaydın, A. Özgür; Sarjeant, Amy A.; Nguyen, SonBinh T.; Hupp, Joseph T.
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	3
Pages of publication	1075
a	24.527 ± 0.001 Å
b	24.527 ± 0.001 Å
c	71.355 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	37174 ± 3 Å³
Cell temperature	225.01 K
Ambient diffraction temperature	225.01 K
Number of distinct elements	4
Space group number	167
Hermann-Mauguin space group symbol	R -3 c
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1031
Residual factor for significantly intense reflections	0.0695
Weighted residual factors for significantly intense reflections	0.1834
Weighted residual factors for all reflections included in the refinement	0.196
Goodness-of-fit parameter for all reflections included in the refinement	0.841
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179590 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/55.	4505537.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505537.cif
51795	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505537 via cif-deposit CGI script.	4505537.cif