Crystallography Open Database

Information card for entry 4069532

Preview

Coordinates	4069532.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H40 Br3 P Pt
Calculated formula	C18 H40 Br3 P Pt
SMILES	[Pt]1(Br)(Br)(Br)[CH2]=[CH2]1.[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	9.0553 ± 0.0005 Å
b	19.8562 ± 0.0011 Å
c	13.7697 ± 0.0008 Å
α	90°
β	92.9 ± 0.002°
γ	90°
Cell volume	2472.7 ± 0.2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0773
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.144
Goodness-of-fit parameter for all reflections included in the refinement	1.201
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.	4069532.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069532.cif
40320	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069530, 4069531, 4069532, 4069533, 4069534, 4069535 via cif-deposit CGI script.	4069532.cif