Crystallography Open Database

Information card for entry 4064957

Preview

Coordinates	4064957.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	jonsk46
Chemical name	(dippe)Pt(COPr)SMe
Formula	C19 H42 O P2 Pt S
Calculated formula	C19 H42 O P2 Pt S
SMILES	[Pt]1(SC)([P](CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)C(=O)CCC
Title of publication	C‒S Bond Activation of Thioesters Using Platinum(0)
Authors of publication	Kundu, Sabuj; Brennessel, William W.; Jones, William D.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	19
Pages of publication	5147
a	8.733 ± 0.003 Å
b	17.202 ± 0.006 Å
c	15.861 ± 0.005 Å
α	90°
β	95.518 ± 0.006°
γ	90°
Cell volume	2371.7 ± 1.4 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0722
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0712
Weighted residual factors for all reflections included in the refinement	0.0821
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
178543 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/49.	4064957.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064957.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064957.cif
33115	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064955, 4064956, 4064957, 4064958, 4064959, 4064960, 4064961, 4064962 via cif-deposit CGI script.	4064957.cif