Crystallography Open Database

Information card for entry 7039924

Preview

Coordinates	7039924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 Br2 F17 N3 O2 S Zn
Calculated formula	C28 H22 Br2 F17 N3 O2 S Zn
SMILES	Br[Zn]12(Br)[n]3ccccc3c3[n]1c(cc(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3)c1[n]2cccc1.S(=O)(C)C
Title of publication	Metallogel formation in aqueous DMSO by perfluoroalkyl decorated terpyridine ligands.
Authors of publication	Tatikonda, Rajendhraprasad; Bhowmik, Sandip; Rissanen, Kari; Haukka, Matti; Cametti, Massimo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	32
Pages of publication	12756 - 12762
a	7.66921 ± 0.00015 Å
b	10.9302 ± 0.0002 Å
c	20.8875 ± 0.0005 Å
α	97.0241 ± 0.0017°
β	91.409 ± 0.0017°
γ	94.9834 ± 0.0016°
Cell volume	1730.11 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0296
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0595
Weighted residual factors for all reflections included in the refinement	0.0615
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
186435 (current)	2016-09-10	cif/ Updating files of 7039921, 7039922, 7039923, 7039924, 7039925 Original log message: Adding full bibliography for 7039921--7039925.cif.	7039924.cif
184494	2016-07-16	cif/ Adding structures of 7039921, 7039922, 7039923, 7039924, 7039925 via cif-deposit CGI script.	7039924.cif