Crystallography Open Database

Information card for entry 4078307

Preview

Coordinates	4078307.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Pt(dippe)(η2-(C,S-DBTO2)]
Formula	C29 H43 O2 P2 Pt S
Calculated formula	C29 H43 O2 P2 Pt S
Title of publication	Mechanistic Insights into the C‒S Bond Breaking in Dibenzothiophene Sulfones
Authors of publication	Oviedo, Alberto; Arévalo, Alma; Flores-Alamo, Marcos; García, Juventino J.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	10
Pages of publication	4039
a	12.303 ± 0.0001 Å
b	17.468 ± 0.0002 Å
c	13.819 ± 0.0002 Å
α	90°
β	98.485 ± 0.001°
γ	90°
Cell volume	2937.32 ± 0.06 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
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	0.0206
Residual factor for significantly intense reflections	0.0151
Weighted residual factors for significantly intense reflections	0.034
Weighted residual factors for all reflections included in the refinement	0.0347
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation probe	x-ray
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
178672 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/83.	4078307.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078307.cif
59890	2012-06-14	cif/ Adding structures of 4078307, 4078308 via cif-deposit CGI script.	4078307.cif