Crystallography Open Database

Information card for entry 4500501

Preview

Coordinates	4500501.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 N3 O7 S Zn
Calculated formula	C16 H12 N3 O7 S Zn
Title of publication	Metal(II) Coordination Polymers Derived from Bis-pyridyl-bis-amide Ligands and Carboxylates: Syntheses, Topological Structures, and Photoluminescence Properties
Authors of publication	Gong, Yun; Li, Jian; Qin, JianBo; Wu, Tao; Cao, Rong; Li, JingHua
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	5
Pages of publication	1662
a	12.341 ± 0.0011 Å
b	14.0421 ± 0.0013 Å
c	11.43 ± 0.001 Å
α	90°
β	96.641 ± 0.005°
γ	90°
Cell volume	1967.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0341
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0836
Weighted residual factors for all reflections included in the refinement	0.0858
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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
179536 (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 4/50/05.	4500501.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500501.cif
34518	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500498, 4500499, 4500500, 4500501, 4500502, 4500503 via cif-deposit CGI script.	4500501.cif