Crystallography Open Database

Information card for entry 4502748

Preview

Coordinates	4502748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H28 Cl6 N4 O4 Zn
Calculated formula	C36 H28 Cl6 N4 O4 Zn
Title of publication	Ligand-Directed Construction of Zn(II) Complexes from Zero-Dimensional Metallomacrocycle to One-, Two-, and Three-Dimensional Coordination Polymers Based on N-Donor and β-Diketone Bifunctional Ligands
Authors of publication	Yang, Ping; Wu, Jin-Ji; Zhou, Hai-Yun; Ye, Bao-Hui
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	1
Pages of publication	99
a	13.142 ± 0.0011 Å
b	9.5179 ± 0.0008 Å
c	14.8006 ± 0.0012 Å
α	90°
β	107.726 ± 0.001°
γ	90°
Cell volume	1763.4 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.0468
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1157
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
179558 (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 4/50/27.	4502748.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502748.cif
37749	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4502748 via cif-deposit CGI script.	4502748.cif