Crystallography Open Database

Information card for entry 7053232

Preview

Coordinates	7053232.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H25 N3 O6 Zn
Calculated formula	C35 H25 N3 O6 Zn
SMILES	[Zn]12(OC(=O)c3ccccc3O)(OC(=O)c3c(O)cccc3)[n]3ccccc3c3[n]1c(cc(c3)c1ccccc1)c1[n]2cccc1
Title of publication	Synthesis, characterization, photoluminescent and thermal properties of zinc(ii) 4′-phenyl-terpyridine compounds
Authors of publication	Ma, Zhen; Lu, Wanbing; Liang, Baohuan; Pombeiro, Armando J. L.
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	5
Pages of publication	1529
a	13.998 ± 0.002 Å
b	14.822 ± 0.002 Å
c	15.489 ± 0.002 Å
α	106.615 ± 0.007°
β	103.451 ± 0.007°
γ	91.595 ± 0.007°
Cell volume	2979.6 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0759
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1144
Weighted residual factors for all reflections included in the refinement	0.1328
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
180086 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/32.	7053232.cif
90698	2013-11-18	cif/ Adding structures of 7053228, 7053229, 7053230, 7053231, 7053232, 7053233 via cif-deposit CGI script.	7053232.cif