Crystallography Open Database

Information card for entry 4080897

Preview

Coordinates	4080897.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(COD)Pt(CC(4F)Ph)2]
Chemical name	Bis((4-fluorophenyl)ethynyl)(1,5-cyclooctadien)platinum(II)
Formula	C24 H20 F2 Pt
Calculated formula	C24 H20 F2 Pt
SMILES	C(#Cc1ccc(F)cc1)[Pt]123([CH]4=[CH]2CC[CH]1=[CH]3CC4)C#Cc1ccc(F)cc1
Title of publication	Strong Cytotoxicity of Organometallic Platinum Complexes with Alkynyl Ligands
Authors of publication	Lüning, Anna; Schur, Julia; Hamel, Laura; Ott, Ingo; Klein, Axel
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	13
Pages of publication	3662
a	10.0746 ± 0.0017 Å
b	7.8999 ± 0.0017 Å
c	11.7544 ± 0.0017 Å
α	90°
β	95.684 ± 0.019°
γ	90°
Cell volume	930.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0654
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0541
Weighted residual factors for all reflections included in the refinement	0.0594
Goodness-of-fit parameter for all reflections included in the refinement	0.863
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
178697 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/08.	4080897.cif
87868	2013-08-27	cif/ Adding structures of 4080894, 4080895, 4080896, 4080897, 4080898, 4080899, 4080900 via cif-deposit CGI script.	4080897.cif