Crystallography Open Database

Information card for entry 4069530

Preview

Coordinates	4069530.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H72 Br4 P2 Pt
Calculated formula	C32 H72 Br4 P2 Pt
SMILES	[Pt](Br)(Br)([Br-])[Br-].[P+](CCCC)(CCCC)(CCCC)CCCC.[P+](CCCC)(CCCC)(CCCC)CCCC
Title of publication	Platinum-Catalyzed Ethylene Hydroamination with Aniline: Synthesis, Characterization, and Studies of Intermediates
Authors of publication	Dub, Pavel A.; Rodriguez-Zubiri, Mireia; Daran, Jean-Claude; Brunet, Jean-Jacques; Poli, Rinaldo
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	16
Pages of publication	4764
a	31.824 ± 0.002 Å
b	12.4983 ± 0.0006 Å
c	24.4141 ± 0.0012 Å
α	90°
β	120.783 ± 0.004°
γ	90°
Cell volume	8342.5 ± 0.9 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
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	0.1077
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.1446
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
178584 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/95.	4069530.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069530.cif
40320	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069530, 4069531, 4069532, 4069533, 4069534, 4069535 via cif-deposit CGI script.	4069530.cif