Crystallography Open Database

Information card for entry 7118158

Preview

Coordinates	7118158.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56.5 H79 Ag2 Cl4 F3 N4 O3 S
Calculated formula	C56.5 H79 Ag2 Cl4 F3 N4 O3 S
Title of publication	Structure and bonding of [(SIPr)AgX] (X = Cl, Br, I and OTf
Authors of publication	Valerie H. L. Wong; Andrew J. P. White; T. S. Andy Hor; King Kuok (Mimi) Hii
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	17752
a	20.2292 ± 0.0006 Å
b	16.3318 ± 0.0004 Å
c	20.2255 ± 0.0007 Å
α	90°
β	111.277 ± 0.004°
γ	90°
Cell volume	6226.6 ± 0.4 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0625
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0923
Weighted residual factors for all reflections included in the refinement	0.1037
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	7118158.cif
171421	2015-12-10	cif/ Adding structures of 7118157, 7118158, 7118159, 7118160 via cif-deposit CGI script.	7118158.cif