Crystallography Open Database

Information card for entry 4507230

Preview

Coordinates	4507230.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C117 H72 N3 O18 Zn4
Calculated formula	C117 H72 N3 O18 Zn4
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	30.1777 ± 0.0017 Å
b	21.4903 ± 0.0016 Å
c	33.5299 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	21745 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1213
Residual factor for significantly intense reflections	0.0681
Weighted residual factors for significantly intense reflections	0.1583
Weighted residual factors for all reflections included in the refinement	0.1788
Goodness-of-fit parameter for all reflections included in the refinement	0.91
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.	4507230.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507230.cif
73862	2013-02-21	cif/ Adding structures of 4507230, 4507231 via cif-deposit CGI script.	4507230.cif