Crystallography Open Database

Information card for entry 4509360

Preview

Coordinates	4509360.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-(bis(μ~2~-5-hydroxy-benzene-1,3-dicarboxylato)-bis(μ~2~-3,3',5,5'- tetramethyl-4,4'-bipyrazole)-di-zinc(ii) hydrate)
Formula	C72 H74 N16 O23.2 Zn4
Calculated formula	C72 H74 N16 O23.204 Zn4
Title of publication	Hydrothermal Synthesis and Structure of Coordination Polymers by Combination of Bipyrazole and Aromatic Dicarboxylate Ligands
Authors of publication	Hunger, Jens; Krautscheid, Harald; Sieler, Joachim
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	11
Pages of publication	4613
a	13.9736 ± 0.0015 Å
b	21.3073 ± 0.0016 Å
c	27.066 ± 0.003 Å
α	90°
β	100.549 ± 0.013°
γ	90°
Cell volume	7922.4 ± 1.4 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 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	0.036
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0668
Weighted residual factors for all reflections included in the refinement	0.0683
Goodness-of-fit parameter for all reflections included in the refinement	0.882
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.	4509360.cif
97236	2014-01-29	cif/ Adding structures of 4509353, 4509354, 4509355, 4509356, 4509357, 4509358, 4509359, 4509360, 4509361 via cif-deposit CGI script.	4509360.cif