Crystallography Open Database

Information card for entry 4075737

Preview

Coordinates	4075737.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H15 N Pt S
Calculated formula	C12 H15 N Pt S
SMILES	[Pt]1([S](c2c3[n]1cccc3ccc2)C)(C)C
Title of publication	Stereospecific Intramolecular S→Pt Transmethylation from 8-(Methylthio)quinoline to Coordinated PtMe2: Formation ofsyn-[fac-PtIVMe3(μ-8-quinolinethiolato)]2with Stacked Quinoline Rings
Authors of publication	Ye, Shengfa; Kaim, Wolfgang; Niemeyer, Mark; Hosmane, Narayan S.
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	5
Pages of publication	794
a	8.0481 ± 0.0016 Å
b	14.164 ± 0.003 Å
c	10.821 ± 0.002 Å
α	90°
β	104.9 ± 0.03°
γ	90°
Cell volume	1192 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0627
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1212
Weighted residual factors for all reflections included in the refinement	0.1306
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
178646 (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 4/07/57.	4075737.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075737.cif
50643	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075737, 4075738 via cif-deposit CGI script.	4075737.cif