Crystallography Open Database

Information card for entry 4341430

Preview

Coordinates	4341430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H19 Mg O12
Calculated formula	C8 H19 Mg O12
Title of publication	Alkaline Earth Metal (Mg, Sr, Ba)‒Organic Frameworks Based on 2,2′,6,6′-Tetracarboxybiphenyl for Proton Conduction
Authors of publication	Dong, Xi-Yan; Hu, Xiao-Peng; Yao, Hong-Chang; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C.W.
Journal of publication	Inorganic Chemistry
Year of publication	2014
Pages of publication	141103102542005
a	19.02 ± 0.002 Å
b	7.7962 ± 0.0009 Å
c	19.565 ± 0.002 Å
α	90°
β	92.355 ± 0.01°
γ	90°
Cell volume	2898.7 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1197
Residual factor for significantly intense reflections	0.0982
Weighted residual factors for significantly intense reflections	0.2469
Weighted residual factors for all reflections included in the refinement	0.2603
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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
179517 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/14.	4341430.cif
126205	2014-11-04	cif/ Adding structures of 4341430, 4341431, 4341432 via cif-deposit CGI script.	4341430.cif