Crystallography Open Database

Information card for entry 1512769

Preview

Coordinates	1512769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18.67 H21 Mg N3 O8
Calculated formula	C18.74 H21 Mg N2.99 O8
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	16.5956 ± 0.0004 Å
b	16.5956 ± 0.0004 Å
c	14.3508 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	3422.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0956
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1783
Weighted residual factors for all reflections included in the refinement	0.2071
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1512769.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512769.cif
90854	2013-11-20	cif/ Adding structures of 1512769 via cif-deposit CGI script.	1512769.cif