Crystallography Open Database

Information card for entry 7212924

Preview

Coordinates	7212924.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Mg-MOF-2
Formula	C14 H18 Mg2 N2 O14
Calculated formula	C14 H18 Mg2 N2 O14
SMILES	c1(cc(ccn1)C(=O)[O-])C(=O)[O]1[Mg]([OH2])([OH2])([O]2C(=O)c3cc(cc[n]3[Mg]12([OH2])([OH2])[OH2])C(=O)[O-])[OH2]
Title of publication	Selective CO2 and H2 adsorption in a chiral magnesium-based metal organic framework (Mg-MOF) with open metal sites
Authors of publication	Mallick, Arijit; Saha, Subhadeep; Pachfule, Pradip; Roy, Sudip; Banerjee, Rahul
Journal of publication	Journal of Materials Chemistry
Year of publication	2010
Journal volume	20
Journal issue	41
Pages of publication	9073
a	7.9273 ± 0.0018 Å
b	12.057 ± 0.003 Å
c	20.301 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1940.4 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0483
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1299
Weighted residual factors for all reflections included in the refinement	0.1324
Goodness-of-fit parameter for all reflections included in the refinement	0.816
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
180460 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/29.	7212924.cif
93675	2014-01-13	cif/ Adding structures of 7212923, 7212924 via cif-deposit CGI script.	7212924.cif