Crystallography Open Database

Information card for entry 4506978

Preview

Coordinates	4506978.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H38 Cl4 N8 O2 Zn2
Calculated formula	C34 H38 Cl4 N8 O2 Zn2
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	24.0201 ± 0.0011 Å
b	17.8559 ± 0.0008 Å
c	18.0012 ± 0.0008 Å
α	90°
β	90.163 ± 0.001°
γ	90°
Cell volume	7720.7 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0927
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1337
Weighted residual factors for all reflections included in the refinement	0.1428
Goodness-of-fit parameter for all reflections included in the refinement	1.149
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4506978.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506978.cif
71909	2013-01-21	cif/ Adding structures of 4506976, 4506977, 4506978, 4506979, 4506980, 4506981 via cif-deposit CGI script.	4506978.cif