Crystallography Open Database

Information card for entry 4118350

Preview

Coordinates	4118350.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	tep2ptcl2
Formula	C37 H30 Cl4 P2 Pt Te
Calculated formula	C37 H30 Cl4 P2 Pt Te
SMILES	[Pt]12([Te](Cl)(c3c([P]1(c1ccccc1)c1ccccc1)cccc3)c1ccccc1[P]2(c1ccccc1)c1ccccc1)Cl.ClCCl
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	9.347 ± 0.002 Å
b	38.247 ± 0.008 Å
c	11.0355 ± 0.0019 Å
α	90°
β	115.056 ± 0.006°
γ	90°
Cell volume	3573.9 ± 1.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
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	0.0302
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0549
Weighted residual factors for all reflections included in the refinement	0.0562
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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.	4118350.cif
75875	2013-03-13	cif/ Adding structures of 4118350 via cif-deposit CGI script.	4118350.cif