Crystallography Open Database

Information card for entry 4329268

Preview

Coordinates	4329268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H42 Al Br3 P2 Pt
Calculated formula	C18 H42 Al Br3 P2 Pt
SMILES	[Pt]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)[Al](Br)(Br)Br
Title of publication	New Metal-Only Lewis Pairs: Elucidating the Electronic Influence of N-Heterocyclic Carbenes and Phosphines on the Dative Pt-Al Bond
Authors of publication	Jürgen Bauer; Rüdiger Bertermann; Holger Braunschweig; Katrin Gruss; Florian Hupp; Thomas Kramer
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5617 - 5626
a	31.4522 ± 0.0017 Å
b	10.9575 ± 0.0005 Å
c	17.4716 ± 0.0009 Å
α	90°
β	118.731 ± 0.003°
γ	90°
Cell volume	5280.1 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0525
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1087
Weighted residual factors for all reflections included in the refinement	0.1121
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
179395 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/92.	4329268.cif
78308	2013-04-01	cif/ Adding structures of 4329268 via cif-deposit CGI script.	4329268.cif