Crystallography Open Database

Information card for entry 4323363

Preview

Coordinates	4323363.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tetraphenylphosphonium tris(trifluoromethyl)methylargenate(III)
Formula	C28 H23 Ag F9 P
Calculated formula	C28 H23 Ag F9 P
SMILES	[Ag](C)(C(F)(F)F)(C(F)(F)F)C(F)(F)F.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Preparation and NMR Spectra of the (Trifluoromethyl)argentates(III) [Ag(CF~3~)~n~X~4-n~]^-^, with X = CN (n= 1-3), CH~3~, C\τbCC~6~H~11~, Cl, Br (n= 2, 3), and I (n= 3), and of Related Silver(III) Compounds. Structures of [PPh~4~][trans-Ag(CF~3~)~2~(CN)~2~] and [PPh~4~][Ag(CF~3~)~3~CH~3~].
Authors of publication	Reint Eujen; Berthold Hoge; David J. Brauer
Journal of publication	Inorganic Chemistry
Year of publication	1997
Journal volume	36
Pages of publication	1464 - 1475
a	24.941 ± 0.003 Å
b	7.2629 ± 0.0006 Å
c	14.9985 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2716.9 ± 0.5 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.032
Weighted residual factors for all reflections	0.0824
Weighted residual factors for significantly intense reflections	0.0785
Goodness-of-fit parameter for all reflections	1.043
Goodness-of-fit parameter for significantly intense reflections	1.074
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
179336 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/33.	4323363.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	4323363.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4323363.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4323363.cif
23391	2011-08-07	../uploads/cif-deposit/cod/cif Adding structures of 4323363 via cif-deposit CGI script.	4323363.cif