Crystallography Open Database

Information card for entry 7212923

Preview

Coordinates	7212923.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Mg-MOF-1
Formula	C7 H3 Mg N O5
Calculated formula	C7 H3 Mg N O5
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	11.4858 ± 0.0017 Å
b	11.4858 ± 0.0017 Å
c	14.756 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	1685.9 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	178
Hermann-Mauguin space group symbol	P 61 2 2
Hall space group symbol	P 61 2 (0 0 5)
Residual factor for all reflections	0.0757
Residual factor for significantly intense reflections	0.0752
Weighted residual factors for significantly intense reflections	0.2331
Weighted residual factors for all reflections included in the refinement	0.2337
Goodness-of-fit parameter for all reflections included in the refinement	1.237
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.	7212923.cif
93675	2014-01-13	cif/ Adding structures of 7212923, 7212924 via cif-deposit CGI script.	7212923.cif