Crystallography Open Database

Information card for entry 4507231

Preview

Coordinates	4507231.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H70 Mg3 N4 O16
Calculated formula	C86 H70 Mg3 N4 O16
Title of publication	Stable Mg-Metal‒Organic Framework (MOF) and Unstable Zn-MOF Based on Nanosized Tris((4-carboxyl)phenylduryl)amine Ligand
Authors of publication	He, Yan-Ping; Tan, Yan-Xi; Zhang, Jian
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	1
Pages of publication	6
a	8.4319 ± 0.0009 Å
b	12.8251 ± 0.0013 Å
c	20.924 ± 0.005 Å
α	73.462 ± 0.016°
β	84.692 ± 0.013°
γ	78.307 ± 0.009°
Cell volume	2122.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0994
Residual factor for significantly intense reflections	0.0921
Weighted residual factors for significantly intense reflections	0.2274
Weighted residual factors for all reflections included in the refinement	0.2306
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
179608 (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 4/50/72.	4507231.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507231.cif
73862	2013-02-21	cif/ Adding structures of 4507230, 4507231 via cif-deposit CGI script.	4507231.cif