Crystallography Open Database

Information card for entry 4064802

Preview

Coordinates	4064802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H48 P2 Pt S2
Calculated formula	C52 H48 P2 Pt S2
SMILES	[Pt](Sc1c(cccc1C)C)(Sc1c(cccc1C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Carbon‒Hydrogen Bond Cleavage Reaction in Four-Coordinate (2,6-Dimethylbenzenethiolato)platinum(II) Complexes. Dramatic Acceleration by Thiolato Hydrogen Acceptor
Authors of publication	Hirano, Masafumi; Tatesawa, Shin-ya; Yabukami, Minoru; Ishihara, Yoko; Hara, Yusuke; Komine, Nobuyuki; Komiya, Sanshiro
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	19
Pages of publication	5110
a	13.328 ± 0.005 Å
b	15.502 ± 0.005 Å
c	12.606 ± 0.004 Å
α	92.12 ± 0.03°
β	102.01 ± 0.03°
γ	113.58 ± 0.02°
Cell volume	2313.7 ± 1.5 Å³
Cell temperature	200 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 significantly intense reflections	0.0536
Weighted residual factors for all reflections included in the refinement	0.1593
Goodness-of-fit parameter for all reflections included in the refinement	0.733
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4064802.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064802.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064802.cif
33050	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064799, 4064800, 4064801, 4064802, 4064803, 4064804, 4064805, 4064806 via cif-deposit CGI script.	4064802.cif