Crystallography Open Database

Information card for entry 4508104

Preview

Coordinates	4508104.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H14 Mg2 O13
Calculated formula	C9 H14 Mg2 O13
Title of publication	Control of the Crystallization Process and Structure Dimensionality of Mg‒Benzene‒1,3,5-Tricarboxylates by Tuning Solvent Composition
Authors of publication	Mazaj, Matjaž; Birsa Čelič, Tadeja; Mali, Gregor; Rangus, Mojca; Kaučič, Venčeslav; Zabukovec Logar, Nataša
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	8
Pages of publication	3825
a	7.8423 ± 0.0005 Å
b	8.7463 ± 0.0005 Å
c	10.7163 ± 0.0008 Å
α	101.274 ± 0.003°
β	91.868 ± 0.003°
γ	96.042 ± 0.003°
Cell volume	715.79 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1233
Residual factor for significantly intense reflections	0.0902
Weighted residual factors for significantly intense reflections	0.2508
Weighted residual factors for all reflections included in the refinement	0.2721
Goodness-of-fit parameter for all reflections included in the refinement	1.143
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
179617 (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 4/50/81.	4508104.cif
87811	2013-08-27	cif/ Adding structures of 4508104 via cif-deposit CGI script.	4508104.cif