Crystallography Open Database

Information card for entry 4124832

Preview

Coordinates	4124832.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bromo-dimethyl-(C,N,N'-(2-(((2-(dimethylamino)ethyl)(methyl)amino)methyl)phenyl)platinum
Formula	C14 H25 Br N2 Pt
Calculated formula	C14 H25 Br N2 Pt
SMILES	[Pt]12(Br)([N](Cc3c2cccc3)(C)CC[N]1(C)C)(C)C
Title of publication	Exclusive Csp(3)-Csp(3) vs Csp(2)-Csp(3) Reductive Elimination from Pt(IV) Governed by Ligand Constraints.
Authors of publication	Bowes, Eric G.; Pal, Shrinwantu; Love, Jennifer A.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	51
Pages of publication	16004 - 16007
a	7.3874 ± 0.0014 Å
b	8.2772 ± 0.0016 Å
c	13.402 ± 0.003 Å
α	94.032 ± 0.004°
β	101.952 ± 0.005°
γ	103.382 ± 0.005°
Cell volume	773.9 ± 0.3 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0233
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.0493
Weighted residual factors for all reflections included in the refinement	0.0502
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
173466 (current)	2016-01-05	cif/ Adding structures of 4124832, 4124833 via cif-deposit CGI script.	4124832.cif