Crystallography Open Database

Information card for entry 4075521

Preview

Coordinates	4075521.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	agf41
Formula	C48 H38 F10 P2 Pt
Calculated formula	C48 H38 F10 P2 Pt
SMILES	c1cccc([P]([Pt](c2c(c(c(F)c(c2F)F)F)F)([P](C#CC(C)(C)C)(c2ccccc2)c2ccccc2)c2c(c(c(c(c2F)F)F)F)F)(C#CC(C)(C)C)c2ccccc2)c1
Title of publication	Contrasting Thermal and Photochemical Intramolecular Coupling in Alkynylphosphine Platinum(II) Complexes
Authors of publication	García, Ana; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	16
Pages of publication	3926
a	11.0706 ± 0.0002 Å
b	17.8513 ± 0.0003 Å
c	11.1888 ± 0.0002 Å
α	90°
β	93.491 ± 0.001°
γ	90°
Cell volume	2207.08 ± 0.07 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	5
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	0.0554
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0705
Weighted residual factors for all reflections included in the refinement	0.0779
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
178644 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/55.	4075521.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075521.cif
49290	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075520, 4075521, 4075522, 4075523 via cif-deposit CGI script.	4075521.cif