Crystallography Open Database

Information card for entry 4107962

Preview

Coordinates	4107962.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	IRMOF-3-AM6
Formula	C42.9 H47.4 N3 O15.7 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	25.7228 ± 0.0006 Å
b	25.7228 ± 0.0006 Å
c	25.7228 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	17019.8 ± 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	0.0395
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.1047
Weighted residual factors for all reflections included in the refinement	0.1081
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4107962.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107962.cif
56289	2012-05-10	cif/ Adding structures of 4107962 via cif-deposit CGI script.	4107962.cif