Crystallography Open Database

Information card for entry 4064956

Preview

Coordinates	4064956.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	jonsk32
Chemical name	(dippe)Pt(COMe)(SEt)
Formula	C18 H40 O P2 Pt S
Calculated formula	C18 H40 O P2 Pt S
SMILES	[Pt]1([P](CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)(SCC)C(=O)C
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	9.1292 ± 0.0005 Å
b	13.8932 ± 0.0008 Å
c	9.5412 ± 0.0006 Å
α	90°
β	109.756 ± 0.001°
γ	90°
Cell volume	1138.92 ± 0.12 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0344
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0553
Weighted residual factors for all reflections included in the refinement	0.0577
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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.	4064956.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064956.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064956.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.	4064956.cif