Crystallography Open Database

Information card for entry 4508125

Preview

Coordinates	4508125.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30.5 H26 Ag F3 N8 O3 S
Calculated formula	C30.5 H26 Ag F3 N8 O3 S
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	33.001 ± 0.002 Å
b	11.547 ± 0.0004 Å
c	19.8795 ± 0.0013 Å
α	90°
β	124.041 ± 0.009°
γ	90°
Cell volume	6277.2 ± 0.9 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0709
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.1758
Weighted residual factors for all reflections included in the refinement	0.1852
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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.	4508125.cif
88828	2013-10-09	cif/ Adding structures of 4508124, 4508125, 4508126, 4508127, 4508128 via cif-deposit CGI script.	4508125.cif