Crystallography Open Database

Information card for entry 7033396

Preview

Coordinates	7033396.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H6 N6 O7 Zn3
Calculated formula	C12 H6 N6 O7 Zn3
Title of publication	A stable zinc-4-carboxypyrazole framework with high uptake and selectivity of light hydrocarbons.
Authors of publication	Fu, Hong-Ru; Wang, Fei; Zhang, Jian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	6
Pages of publication	2893 - 2896
a	20.077 ± 0.0002 Å
b	20.077 ± 0.0002 Å
c	20.077 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	8092.76 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0976
Residual factor for significantly intense reflections	0.0733
Weighted residual factors for significantly intense reflections	0.2459
Weighted residual factors for all reflections included in the refinement	0.2617
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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
180039 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/33.	7033396.cif
133352	2015-03-06	cif/ Updating files of 7033396 Original log message: Adding full bibliography for 7033396.cif.	7033396.cif
128538	2014-12-12	cif/ Adding structures of 7033396 via cif-deposit CGI script.	7033396.cif