Crystallography Open Database

Information card for entry 7702465

Preview

Coordinates	7702465.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H10 N4 S2
Calculated formula	C16 H10 N4 S2
Title of publication	New multidentate ligands for supramolecular coordination chemistry: double and triple helical complexes of ligands containing pyridyl and thiazolyl donor units
Authors of publication	Rice, Craig R.; Wörl, Stefan; Jeffery, John C.; Paul, Rowena L.; Ward, Michael D.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	5
Pages of publication	550
a	11.882 ± 0.005 Å
b	9.871 ± 0.004 Å
c	24.086 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	2825 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.136
Residual factor for significantly intense reflections	0.0941
Weighted residual factors for significantly intense reflections	0.211
Weighted residual factors for all reflections included in the refinement	0.2307
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
243872 (current)	2019-11-28	cif/ Adding structures of 7702463, 7702464, 7702465, 7702466, 7702467, 7702468, 7702469, 7702470 via cif-deposit CGI script.	7702465.cif