Crystallography Open Database

Information card for entry 4341446

Preview

Coordinates	4341446.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H25 Ag F3 N4 O3 P S
Calculated formula	C28 H25 Ag F3 N4 O3 P S
Title of publication	Isomer Dependence in the Assembly and Lability of Silver(I) Trifluoromethanesulfonate Complexes of the Heteroditopic Ligands, 2-, 3-, and 4-[Di(1H-pyrazolyl)methyl]phenyl(di-p-tolyl)phosphine
Authors of publication	Gardinier, James R.; Hewage, Jeewantha S.; Lindeman, Sergey V.
Journal of publication	Inorganic Chemistry
Year of publication	2014
Pages of publication	141106150122003
a	21.8299 ± 0.0003 Å
b	13.12475 ± 0.00011 Å
c	22.6416 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	6487.09 ± 0.14 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	8
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.0922
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179517 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/14.	4341446.cif
126610	2014-11-07	cif/ Adding structures of 4341444, 4341445, 4341446, 4341447, 4341448 via cif-deposit CGI script.	4341446.cif