Crystallography Open Database

Information card for entry 4115498

Preview

Coordinates	4115498.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H30 N2 O4 Pt Se2
Calculated formula	C32 H30 N2 O4 Pt Se2
SMILES	[Pt]12([Se]c3ccccc3)([Se]c3ccccc3)([n]3c(ccc4ccc5ccc([n]1c5c34)C)C)[CH](=[CH]2C(=O)OC)C(=O)OC
Title of publication	Oxidative Additions of E-E Bonds (E = Chalcogen) to Group 10 Metals: "Tunable" Cleavage of Se-Se Bonds by Pt(0) Complexes
Authors of publication	Vincenzo G. Albano; Magda Monari; Ida Orabona; Achille Panunzi; Francesco Ruffo
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	4352 - 4353
a	13.296 ± 0.001 Å
b	11.8738 ± 0.0009 Å
c	19.282 ± 0.002 Å
α	90 ± 0.005°
β	100.581 ± 0.002°
γ	90 ± 0.005°
Cell volume	2992.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0766
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0616
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	0.783
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178925 (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 4/11/54.	4115498.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115498.cif
69052	2012-12-02	cif/ Adding structures of 4115498 via cif-deposit CGI script.	4115498.cif