Crystallography Open Database

Information card for entry 4506976

Preview

Coordinates	4506976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H14 Cl2 N4 O Zn
Calculated formula	C13 H14 Cl2 N4 O Zn
Title of publication	Solvent-Driven Structural Diversities in ZnIICoordination Polymers and Complexes Derived from Bis-pyridyl Ligands Equipped with a Hydrogen-Bond-Capable Urea Backbone
Authors of publication	Banerjee, Subhabrata; Adarsh, N. N.; Dastidar, Parthasarathi
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	12
Pages of publication	6061
a	12.1981 ± 0.0013 Å
b	4.6782 ± 0.0005 Å
c	15.3941 ± 0.0013 Å
α	90°
β	122.302 ± 0.006°
γ	90°
Cell volume	742.52 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0232
Residual factor for significantly intense reflections	0.0218
Weighted residual factors for significantly intense reflections	0.0683
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections included in the refinement	1.137
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
179605 (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 4/50/69.	4506976.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506976.cif
71909	2013-01-21	cif/ Adding structures of 4506976, 4506977, 4506978, 4506979, 4506980, 4506981 via cif-deposit CGI script.	4506976.cif