Crystallography Open Database

Information card for entry 1512771

Preview

Coordinates	1512771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H34 Mg3 N4 O16
Calculated formula	C30 H34 Mg3 N4 O16
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	17.49 ± 0.004 Å
b	11.94 ± 0.002 Å
c	18.46 ± 0.004 Å
α	90°
β	116.87 ± 0.03°
γ	90°
Cell volume	3438.8 ± 1.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0586
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1124
Weighted residual factors for all reflections included in the refinement	0.1229
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1512771.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512771.cif
90856	2013-11-20	cif/ Adding structures of 1512771 via cif-deposit CGI script.	1512771.cif