Crystallography Open Database

Information card for entry 4326737

Preview

Coordinates	4326737.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	IRMOF(1:2)-pent-T1
Formula	C96 H0 N6 O52 Zn16
Calculated formula	C96 O52 Zn16
Title of publication	Tandem Postsynthetic Modification of Metal-Organic Frameworks Using an Inverse-Electron-Demand Diels-Alder Reaction
Authors of publication	Chao Chen; Corinne A. Allen; Seth M. Cohen
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	10534 - 10536
a	25.6065 ± 0.0004 Å
b	25.6065 ± 0.0004 Å
c	25.6065 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	16790 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0887
Residual factor for significantly intense reflections	0.0758
Weighted residual factors for significantly intense reflections	0.2047
Weighted residual factors for all reflections included in the refinement	0.2178
Goodness-of-fit parameter for all reflections included in the refinement	0.959
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
179370 (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 4/32/67.	4326737.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326737.cif
49511	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326737 via cif-deposit CGI script.	4326737.cif