Crystallography Open Database

Information card for entry 1512770

Preview

Coordinates	1512770.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H9 Mg N O5
Calculated formula	C7 H9 Mg N O5
Title of publication	Temperature dependent structure formation and photoluminescence studies of a series of magnesium-based coordination networks
Authors of publication	Paul J. Calderone; Debasis Banerjee; Anna M. Plonka; Sun Jin Kim; John B. Parise
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	394
Pages of publication	452 - 458
a	13.9275 ± 0.0012 Å
b	13.9275 ± 0.0012 Å
c	8.025 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	1348.1 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0742
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1465
Weighted residual factors for all reflections included in the refinement	0.1724
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	0.41328 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512770.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512770.cif
90855	2013-11-20	cif/ Adding structures of 1512770 via cif-deposit CGI script.	1512770.cif