Crystallography Open Database

Information card for entry 7118160

Preview

Coordinates	7118160.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H40 Ag Cl2 I N2
Calculated formula	C28 H40 Ag Cl2 I N2
SMILES	[Ag](I)=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.C(Cl)Cl
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	10.7195 ± 0.0005 Å
b	19.0287 ± 0.0005 Å
c	16.2788 ± 0.0006 Å
α	90°
β	106.154 ± 0.004°
γ	90°
Cell volume	3189.4 ± 0.2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0633
Weighted residual factors for all reflections included in the refinement	0.0685
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
171421 (current)	2015-12-10	cif/ Adding structures of 7118157, 7118158, 7118159, 7118160 via cif-deposit CGI script.	7118160.cif