Crystallography Open Database

Information card for entry 7118157

Preview

Coordinates	7118157.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H38 Ag F3 N2 O3 S
Calculated formula	C28 H38 Ag F3 N2 O3 S
SMILES	[Ag](=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)OS(=O)(=O)C(F)(F)F
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	12.981 ± 0.0003 Å
b	13.4443 ± 0.0003 Å
c	17.5825 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3068.51 ± 0.12 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0306
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0552
Weighted residual factors for all reflections included in the refinement	0.0571
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7118157.html