Crystallography Open Database

Information card for entry 4503184

Preview

Coordinates	4503184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 Mg2 N2 O10
Calculated formula	C22 H22 Mg2 N2 O10
Title of publication	Novel Metal−Organic Frameworks Derived from Group II Metal Cations and Aryldicarboxylate Anionic Ligands
Authors of publication	Williams, Colleen A.; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Schröder, Martin
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	3
Pages of publication	911
a	13.627 ± 0.003 Å
b	9.941 ± 0.002 Å
c	17.686 ± 0.004 Å
α	90°
β	92.732 ± 0.004°
γ	90°
Cell volume	2393.1 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.122
Residual factor for significantly intense reflections	0.112
Weighted residual factors for significantly intense reflections	0.196
Weighted residual factors for all reflections included in the refinement	0.2
Goodness-of-fit parameter for all reflections included in the refinement	1.31
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
179562 (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 4/50/31.	4503184.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503184.cif
41400	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503182, 4503183, 4503184, 4503185, 4503186, 4503187, 4503188, 4503189, 4503190, 4503191, 4503192, 4503193, 4503194, 4503195 via cif-deposit CGI script.	4503184.cif