Crystallography Open Database

Information card for entry 1531946

1531945 << 1531946 >> 1531947

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Coordinates	1531946.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[TlPt(CNArDipp2)2]BArF
Formula	C94 H86 B F24 N2 Pt Tl
Calculated formula	C94 H86 B F24 N2 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	14.6265 ± 0.0007 Å
b	20.6542 ± 0.001 Å
c	31.1986 ± 0.0015 Å
α	76.597 ± 0.002°
β	79.378 ± 0.003°
γ	89.566 ± 0.003°
Cell volume	9005.2 ± 0.8 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1261
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.103
Weighted residual factors for all reflections included in the refinement	0.1209
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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.	1531946.cif
157542	2015-09-18	cif/ Adding structures of 1531937, 1531938, 1531939, 1531940, 1531941, 1531942, 1531943, 1531944, 1531945, 1531946 via cif-deposit CGI script.	1531946.cif