Crystallography Open Database

Information card for entry 4069535

Preview

Coordinates	4069535.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H11 Br2 N Pt
Calculated formula	C8 H11 Br2 N Pt
SMILES	[Pt]1(Br)(Br)([NH2]c2ccccc2)[CH2]=[CH2]1
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	12.6706 ± 0.0003 Å
b	9.6392 ± 0.0002 Å
c	17.766 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2169.84 ± 0.08 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0638
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.155
Weighted residual factors for all reflections included in the refinement	0.1771
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4069535.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069535.cif
40320	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069530, 4069531, 4069532, 4069533, 4069534, 4069535 via cif-deposit CGI script.	4069535.cif