Crystallography Open Database

Information card for entry 4501748

Preview

Coordinates	4501748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H18 N O4 Zn
Calculated formula	C27 H18 N O4 Zn
Title of publication	A Microporous Metal−Organic Framework Based on [2 + 2] Parallel and Inclined Interpenetrated 2D Sheets Interconnected by an Auxiliary Linker
Authors of publication	Song, Xiaokai; Liu, Xinfang; Oh, Minhak; Lah, Myoung Soo
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	7
Pages of publication	3222
a	10.7448 ± 0.0017 Å
b	36.868 ± 0.006 Å
c	60.435 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	23941 ± 7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.1257
Residual factor for significantly intense reflections	0.0774
Weighted residual factors for significantly intense reflections	0.1897
Weighted residual factors for all reflections included in the refinement	0.2103
Goodness-of-fit parameter for all reflections included in the refinement	0.958
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179548 (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 4/50/17.	4501748.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501748.cif
36080	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501748 via cif-deposit CGI script.	4501748.cif