Crystallography Open Database

Information card for entry 7053230

Preview

Coordinates	7053230.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H17 F6 N3 O7 S2 Zn
Calculated formula	C23 H17 F6 N3 O7 S2 Zn
SMILES	[Zn]12(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)([OH2])[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	11.0686 ± 0.0007 Å
b	22.0148 ± 0.0013 Å
c	12.9592 ± 0.0009 Å
α	90°
β	117.908 ± 0.004°
γ	90°
Cell volume	2790.6 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
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	0.048
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.1046
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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.	7053230.cif
90698	2013-11-18	cif/ Adding structures of 7053228, 7053229, 7053230, 7053231, 7053232, 7053233 via cif-deposit CGI script.	7053230.cif