Crystallography Open Database

Information card for entry 4075522

Preview

Coordinates	4075522.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ana156
Formula	C45 H27 Cl3 F10 P2 Pt
Calculated formula	C45 H27 Cl3 F10 P2 Pt
SMILES	[Pt]1([PH](C(=C([P]1(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.C(Cl)(Cl)Cl
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	11.7815 ± 0.0002 Å
b	12.7708 ± 0.0003 Å
c	15.9553 ± 0.0004 Å
α	73.604 ± 0.001°
β	83.716 ± 0.001°
γ	71.13 ± 0.001°
Cell volume	2178.79 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0676
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1144
Weighted residual factors for all reflections included in the refinement	0.1261
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	4075522.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075522.cif
49290	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075520, 4075521, 4075522, 4075523 via cif-deposit CGI script.	4075522.cif