Crystallography Open Database

Information card for entry 4507459

Preview

Coordinates	4507459.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H18 O8 Zn
Calculated formula	C34 H18 O8 Zn
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	12.0239 ± 0.0015 Å
b	13.482 ± 0.0017 Å
c	14.0414 ± 0.0018 Å
α	70.491 ± 0.002°
β	77.141 ± 0.002°
γ	89.312 ± 0.002°
Cell volume	2086.9 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1239
Residual factor for significantly intense reflections	0.0826
Weighted residual factors for significantly intense reflections	0.2258
Weighted residual factors for all reflections included in the refinement	0.2444
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
179610 (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 4/50/74.	4507459.cif
85518	2013-05-07	cif/ Adding structures of 4507459 via cif-deposit CGI script.	4507459.cif