Crystallography Open Database

Information card for entry 7702464

Preview

Coordinates	7702464.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H58 Cl4 Cu2 N20 O17 S4
Calculated formula	C76 H32 Cl4 Cu2 N20 O17 S4
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	13.4641 ± 0.0013 Å
b	15.0528 ± 0.0015 Å
c	21.859 ± 0.002 Å
α	80.685 ± 0.002°
β	81.242 ± 0.002°
γ	77.288 ± 0.002°
Cell volume	4233.2 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1853
Residual factor for significantly intense reflections	0.0984
Weighted residual factors for significantly intense reflections	0.2353
Weighted residual factors for all reflections included in the refinement	0.2884
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	7702464.cif