Crystallography Open Database

Information card for entry 7052628

Preview

Coordinates	7052628.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H22 Mn N2 O12
Calculated formula	C12 H22 Mn N2 O12
Title of publication	Structural variation from 1D chains to 3D networks: a systematic study of coordination number effect on the construction of coordination polymers using the terepthaloylbisglycinate ligand
Authors of publication	Kostakis, George E.; Casella, Luigi; Boudalis, Athanassios K.; Monzani, Enrico; Plakatouras, John C.
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	5
Pages of publication	1060
a	6.8863 ± 0.0005 Å
b	30.987 ± 0.002 Å
c	8.0216 ± 0.0006 Å
α	90°
β	93.21 ± 0.004°
γ	90°
Cell volume	1709 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1142
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1217
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
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
180080 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/26.	7052628.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052628.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052628.cif
21243	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7052627, 7052628, 7052629 via cif-deposit CGI script.	7052628.cif