Crystallography Open Database

Information card for entry 4118353

Preview

Coordinates	4118353.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	tep2ptf
Formula	C38 H34 Cl F O2 P2 Pt Te
Calculated formula	C38 H34 Cl F O2 P2 Pt Te
SMILES	[Pt]12([Te](F)(OC)(OC)(c3ccccc3[P]2(c2ccccc2)c2ccccc2)c2ccccc2[P]1(c1ccccc1)c1ccccc1)Cl
Title of publication	Two-Electron Redox Chemistry at the Dinuclear Core of a TePt Platform: Chlorine Photoreductive Elimination and Isolation of a TeVPtI Complex
Authors of publication	Tzu-Pin Lin; François P. Gabbaï
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	12230 - 12238
a	11.515 ± 0.004 Å
b	11.663 ± 0.004 Å
c	14.145 ± 0.004 Å
α	79.654 ± 0.003°
β	69.66 ± 0.003°
γ	71.754 ± 0.003°
Cell volume	1686.3 ± 1 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0242
Residual factor for significantly intense reflections	0.0222
Weighted residual factors for significantly intense reflections	0.0533
Weighted residual factors for all reflections included in the refinement	0.0545
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
178954 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/83.	4118353.cif
75878	2013-03-13	cif/ Adding structures of 4118353 via cif-deposit CGI script.	4118353.cif