Crystallography Open Database

Information card for entry 4318227

Preview

Coordinates	4318227.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Pt(S2cyclophane)(cod)][SO3CF3]2
Formula	C26 H28 F6 O6 Pt S4
Calculated formula	C26 H28 F6 O6 Pt S4
SMILES	[Pt]1234([S]5Cc6ccccc6C[S]1Cc1ccccc1C5)[CH]1=[CH]2CC[CH]3=[CH]4CC1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Conformational Behavior and Coordination Chemistry of 2,11-Dithia[3.3]orthocyclophane with Platinum Group Metals
Authors of publication	Jorge Tiburcio; William D. Jones; Stephen J. Loeb; Hugo Torrens
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	3779 - 3785
a	11.087 ± 0.002 Å
b	11.502 ± 0.002 Å
c	13.424 ± 0.003 Å
α	82.617 ± 0.003°
β	70.159 ± 0.003°
γ	66.268 ± 0.003°
Cell volume	1474 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0277
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0713
Weighted residual factors for all reflections included in the refinement	0.0724
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179262 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/82.	4318227.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318227.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318227.cif
14529	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 4318227 via cif-deposit CGI script.	4318227.cif