Crystallography Open Database

Information card for entry 4113914

Preview

Coordinates	4113914.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(dppp)Pt(Me)2
Formula	C29 H32 P2 Pt
Calculated formula	C29 H32 P2 Pt
SMILES	[Pt]1([P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C)C
Title of publication	Zwitterionic and Cationic Bis(phosphine) Platinum(II) Complexes: Structural, Electronic, and Mechanistic Comparisons Relevant to Ligand Exchange and Benzene C-H Activation Processes
Authors of publication	J. Christopher Thomas; Jonas C. Peters
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	8870 - 8888
a	15.4697 ± 0.001 Å
b	16.0349 ± 0.001 Å
c	20.7479 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	5146.6 ± 0.6 Å³
Cell temperature	96 ± 2 K
Ambient diffraction temperature	96 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0226
Residual factor for significantly intense reflections	0.0203
Weighted residual factors for significantly intense reflections	0.0446
Weighted residual factors for all reflections included in the refinement	0.0451
Goodness-of-fit parameter for all reflections included in the refinement	1.235
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
178910 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/39.	4113914.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113914.cif
67190	2012-09-20	cif/ Adding structures of 4113914 via cif-deposit CGI script.	4113914.cif