Crystallography Open Database

Information card for entry 7053231

Preview

Coordinates	7053231.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H29 N3 O7 Zn
Calculated formula	C36 H29 N3 O7 Zn
SMILES	[Zn]12(OC(=O)c3ccc(O)cc3)(OC(=O)c3ccc(O)cc3)[n]3ccccc3c3[n]1c(cc(c3)c1ccccc1)c1[n]2cccc1.OC
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	13.007 ± 0.003 Å
b	9.863 ± 0.002 Å
c	26.388 ± 0.008 Å
α	90°
β	110.93 ± 0.03°
γ	90°
Cell volume	3161.9 ± 1.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.0624
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.1048
Weighted residual factors for all reflections included in the refinement	0.1224
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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.	7053231.cif
90698	2013-11-18	cif/ Adding structures of 7053228, 7053229, 7053230, 7053231, 7053232, 7053233 via cif-deposit CGI script.	7053231.cif