Crystallography Open Database

Information card for entry 4113913

Preview

Coordinates	4113913.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Ph2SiP2)Pt(Me)2toluene
Formula	C47 H48 P2 Pt Si
Calculated formula	C47 H48 P2 Pt Si
SMILES	[Pt]1([P](C[Si](c2ccccc2)(c2ccccc2)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C)C.Cc1ccccc1
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	12.4923 ± 0.0009 Å
b	21.3358 ± 0.0016 Å
c	14.6898 ± 0.0011 Å
α	90°
β	90.021 ± 0.001°
γ	90°
Cell volume	3915.3 ± 0.5 Å³
Cell temperature	96 ± 2 K
Ambient diffraction temperature	96 ± 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	0.0402
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0546
Weighted residual factors for all reflections included in the refinement	0.0574
Goodness-of-fit parameter for all reflections included in the refinement	1.258
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.	4113913.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113913.cif
67189	2012-09-20	cif/ Adding structures of 4113913 via cif-deposit CGI script.	4113913.cif