Crystallography Open Database

Information card for entry 4327556

Preview

Coordinates	4327556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H29 P Pt S4
Calculated formula	C33 H29 P Pt S4
SMILES	[Pt]1([S]=C(S1)Sc1ccc(cc1)C)(Sc1ccc(cc1)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Insertion Reactions of (PPh3)2Pt(SR)2 with CS2, where R = H, CMe3, CHMe2, 4-C6H4Me; Structure of (PPh3)Pt(SC6H4Me)(S2CS-4-C6H4Me)
Authors of publication	Alan Shaver; Mohammad El-Khateeb; Anne-Marie Lebuis
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	5288 - 5289
a	10.205 ± 0.001 Å
b	11.206 ± 0.002 Å
c	15.235 ± 0.002 Å
α	93.14 ± 0.02°
β	92.54 ± 0.02°
γ	114.14 ± 0.01°
Cell volume	1583.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0411
Residual factor for significantly intense reflections	0.039
Weighted residual factors for all reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.1073
Goodness-of-fit parameter for all reflections	1.063
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.54056 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179378 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/75.	4327556.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327556.cif
61378	2012-07-04	cif/ Adding structures of 4327556 via cif-deposit CGI script.	4327556.cif