Crystallography Open Database

Information card for entry 4107965

Preview

Coordinates	4107965.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	IRMOF-3-AM4
Formula	C39 H39 N3 O16 Zn4
Calculated formula	C24 O13 Zn4
Title of publication	Systematic Functionalization of a Metal-Organic Framework via a Postsynthetic Modification Approach
Authors of publication	Kristine K. Tanabe; Zhenqiang Wang; Seth M. Cohen
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	8508 - 8517
a	25.7386 ± 0.0006 Å
b	25.7386 ± 0.0006 Å
c	25.7386 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	17051.2 ± 0.7 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	0.0387
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.0849
Goodness-of-fit parameter for all reflections included in the refinement	0.918
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
178825 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/79.	4107965.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107965.cif
56292	2012-05-10	cif/ Adding structures of 4107965 via cif-deposit CGI script.	4107965.cif