Crystallography Open Database

Information card for entry 4331894

Preview

Coordinates	4331894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H36 Br Cl3 P2 Pt S
Calculated formula	C43 H36 Br Cl3 P2 Pt S
SMILES	[Pt](Cl)(Sc1ccc(Br)cc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
Title of publication	cis-to-trans Isomerization Promoted by Pyridine as a Crucial Step for the Selective Preparation oftrans-Pt(SAr)(Cl)(PAr‘3)2
Authors of publication	Yamashita, Fumikazu; Kuniyasu, Hitoshi; Terao, Jun; Kambe, Nobuaki
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	3
Pages of publication	1399 - 1404
a	11.6513 ± 0.0005 Å
b	12.5267 ± 0.0008 Å
c	14.5392 ± 0.0008 Å
α	76.714 ± 0.002°
β	88.574 ± 0.002°
γ	79.061 ± 0.003°
Cell volume	2027.32 ± 0.19 Å³
Cell temperature	296.2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for all reflections included in the refinement	0.1149
Goodness-of-fit parameter for all reflections included in the refinement	1.913
Diffraction radiation wavelength	0.7107 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.	4331894.cif
97951	2014-01-29	cif/ Adding structures of 4331894 via cif-deposit CGI script.	4331894.cif