Crystallography Open Database

Information card for entry 4509592

Preview

Coordinates	4509592.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Zinc Carboxylate
Formula	C34 H22 N9 O10.5 Zn3.5
Calculated formula	C34 H22 N9 O10.5 Zn3.5
Title of publication	Time- and Temperature-Dependent Study in the Three-Component Zinc-Triazolate-Oxybis(benzoate) System: Stabilization of New Topologies
Authors of publication	Mahata, Partha; Prabu, Manikanda; Natarajan, Srinivasan
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	8
Pages of publication	3683
a	9.812 ± 0.002 Å
b	36.015 ± 0.008 Å
c	21.799 ± 0.005 Å
α	90°
β	101.814 ± 0.004°
γ	90°
Cell volume	7540 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0915
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1315
Weighted residual factors for all reflections included in the refinement	0.1496
Goodness-of-fit parameter for all reflections included in the refinement	1.157
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
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.	4509592.cif
97383	2014-01-29	cif/ Adding structures of 4509591, 4509592, 4509593 via cif-deposit CGI script.	4509592.cif