Crystallography Open Database

Information card for entry 1531939

1531938 << 1531939 >> 1531940

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Coordinates	1531939.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[AgPt(CNArDipp2)2(C6H6)]2[u-AgOTf]2(OTf)
Formula	C152 H172 Ag4 F12 N4 O12 Pt2 S4
Calculated formula	C152 H172 Ag4 F12 N4 O12 Pt2 S4
Title of publication	Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding
Authors of publication	Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	12
Pages of publication	7169
a	11.7798 ± 0.001 Å
b	29.62 ± 0.002 Å
c	20.9358 ± 0.0016 Å
α	90°
β	90.39 ± 0.004°
γ	90°
Cell volume	7304.7 ± 1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.1016
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.0977
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation probe	x-ray
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
170960 (current)	2015-12-09	cif/ Updating files of 1531937, 1531938, 1531939, 1531940, 1531941, 1531942, 1531943, 1531944, 1531945, 1531946 Original log message: Adding full bibliography for 1531937--1531946.cif.	1531939.cif
157542	2015-09-18	cif/ Adding structures of 1531937, 1531938, 1531939, 1531940, 1531941, 1531942, 1531943, 1531944, 1531945, 1531946 via cif-deposit CGI script.	1531939.cif