Crystallography Open Database

Information card for entry 1531945

1531944 << 1531945 >> 1531946

Preview

Coordinates	1531945.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(Et2O)TlPt(CNArDipp2)2]BArF
Formula	C98 H96 B F24 N2 O Pt Tl
Calculated formula	C98 H96 B F24 N2 O Pt Tl
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	12.7326 ± 0.0012 Å
b	26.642 ± 0.003 Å
c	28.428 ± 0.003 Å
α	99.2 ± 0.004°
β	90.224 ± 0.004°
γ	90.514 ± 0.004°
Cell volume	9518.8 ± 1.7 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0435
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0671
Weighted residual factors for all reflections included in the refinement	0.0724
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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.	1531945.cif
157542	2015-09-18	cif/ Adding structures of 1531937, 1531938, 1531939, 1531940, 1531941, 1531942, 1531943, 1531944, 1531945, 1531946 via cif-deposit CGI script.	1531945.cif