Crystallography Open Database

Information card for entry 4109351

Preview

Coordinates	4109351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H48 P2 Pt
Calculated formula	C20 H48 P2 Pt
SMILES	[Pt](CCCC)(CCCC)([P](CC)(CC)CC)[P](CC)(CC)CC
Title of publication	β-Hydrogen Kinetic Effect
Authors of publication	Raffaello Romeo; Giuseppina D'Amico; Emilia Sicilia; Nino Russo; Silvia Rizzato
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	5744 - 5755
a	8.9295 ± 0.0009 Å
b	10.2667 ± 0.001 Å
c	14.3876 ± 0.0014 Å
α	99.62 ± 0.002°
β	107.679 ± 0.002°
γ	98.996 ± 0.002°
Cell volume	1208.5 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0156
Residual factor for significantly intense reflections	0.0148
Weighted residual factors for significantly intense reflections	0.0369
Weighted residual factors for all reflections included in the refinement	0.0372
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
178839 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/93.	4109351.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109351.cif
58117	2012-05-25	cif/ Adding structures of 4109351 via cif-deposit CGI script.	4109351.cif