Crystallography Open Database

Information card for entry 4110019

Preview

Coordinates	4110019.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C0.01 H0 O0.01 Zn0
Calculated formula	C0.447552 H0.167832 O0.34965 Zn0.0559441
Title of publication	Postsynthetic Covalent Modification of a Neutral Metal-Organic Framework
Authors of publication	Zhenqiang Wang; Seth M. Cohen
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	12368 - 12369
a	25.8074 ± 0.0018 Å
b	25.8074 ± 0.0018 Å
c	25.8074 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	17188 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.1685
Residual factor for significantly intense reflections	0.1173
Weighted residual factors for significantly intense reflections	0.3458
Weighted residual factors for all reflections included in the refinement	0.4259
Goodness-of-fit parameter for all reflections included in the refinement	1.648
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
178871 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/00.	4110019.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110019.cif
59221	2012-06-05	cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters.	4110019.cif
59116	2012-06-03	smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif	4110019.cif