Crystallography Open Database

Information card for entry 4508127

Preview

Coordinates	4508127.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H55 Ag2 F6 N18 O6.5 S2
Calculated formula	C60 H55 Ag2 F6 N18 O6.5 S2
Title of publication	Cyclic versus Polymeric Supramolecular Architectures in Metal Complexes of Dinucleating Ligands: Silver(I) Trifluoromethanesulfonate Complexes of the Isomers of Bis(di(1H-pyrazolyl)methyl)-1,1′-biphenyl.
Authors of publication	Gardinier, James R.; Tatlock, Heidi M.; Hewage, Jeewantha S.; Lindeman, Sergey V.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	9
Pages of publication	3864
a	14.34228 ± 0.00016 Å
b	14.34228 ± 0.00016 Å
c	32.9099 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	6769.6 ± 0.16 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.056
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1431
Weighted residual factors for all reflections included in the refinement	0.1471
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4508127.cif
88828	2013-10-09	cif/ Adding structures of 4508124, 4508125, 4508126, 4508127, 4508128 via cif-deposit CGI script.	4508127.cif