Crystallography Open Database

Information card for entry 4508105

Preview

Coordinates	4508105.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H6 Mg3 O12
Calculated formula	C18 H6 Mg3 O12
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	7.7922 ± 0.0002 Å
b	7.7932 ± 0.0002 Å
c	7.7929 ± 0.0002 Å
α	66.135 ± 0.004°
β	66.148 ± 0.004°
γ	66.148 ± 0.004°
Cell volume	379.06 ± 0.02 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	0.1413
Residual factor for significantly intense reflections	0.0854
Weighted residual factors for significantly intense reflections	0.2111
Weighted residual factors for all reflections included in the refinement	0.2552
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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.	4508105.cif
87812	2013-08-27	cif/ Adding structures of 4508105 via cif-deposit CGI script.	4508105.cif