Crystallography Open Database

Information card for entry 4118351

Preview

Coordinates	4118351.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	tep2ptcl4
Formula	C40 H36 Cl4 O P2 Pt Te
Calculated formula	C40 H36 Cl4 O P2 Pt Te
SMILES	[Pt]12([Te](c3c([P]1(c1ccccc1)c1ccccc1)cccc3)(c1c([P]2(c2ccccc2)c2ccccc2)cccc1)Cl)(Cl)(Cl)Cl.O1CCCC1
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	10.9177 ± 0.0015 Å
b	10.1787 ± 0.0014 Å
c	34.619 ± 0.005 Å
α	90°
β	94.273 ± 0.002°
γ	90°
Cell volume	3836.4 ± 0.9 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1378
Weighted residual factors for all reflections included in the refinement	0.1416
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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.	4118351.cif
75876	2013-03-13	cif/ Adding structures of 4118351 via cif-deposit CGI script.	4118351.cif