Crystallography Open Database

Information card for entry 4507460

Preview

Coordinates	4507460.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 Mg0.5 O5
Calculated formula	C18 H12 Mg0.5 O5
Title of publication	Synthesis, Characterization, and Adsorption Studies of Nickel(II), Zinc(II), and Magnesium(II) Coordination Frameworks of BTTB
Authors of publication	Karra, Jagadeswara R.; Huang, You-Gui; Walton, Krista S.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	3
Pages of publication	1075
a	17.823 ± 0.003 Å
b	30.112 ± 0.004 Å
c	10.7574 ± 0.0012 Å
α	90°
β	118.559 ± 0.011°
γ	90°
Cell volume	5070.9 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1274
Residual factor for significantly intense reflections	0.0885
Weighted residual factors for significantly intense reflections	0.2417
Weighted residual factors for all reflections included in the refinement	0.2709
Goodness-of-fit parameter for all reflections included in the refinement	0.969
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4507460.cif
85519	2013-05-07	cif/ Adding structures of 4507460 via cif-deposit CGI script.	4507460.cif