Crystallography Open Database

Information card for entry 4080900

Preview

Coordinates	4080900.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(COD)Pt(Me)(CC(3Me)Ph)]
Chemical name	((3-Methylphenyl)ethynyl)(methyl)(1,5-cyclooctadiene)platinum(II)
Formula	C18 H22 Pt
Calculated formula	C18 H22 Pt
SMILES	[Pt]123([CH]4CC[CH]3=[CH]1CC[CH]2=4)(C#Cc1cc(C)ccc1)C
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	8.2036 ± 0.0016 Å
b	10.3681 ± 0.0014 Å
c	18.997 ± 0.003 Å
α	90°
β	107.414 ± 0.014°
γ	90°
Cell volume	1541.7 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.0859
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0582
Weighted residual factors for all reflections included in the refinement	0.0704
Goodness-of-fit parameter for all reflections included in the refinement	0.845
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
178698 (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 4/08/09.	4080900.cif
87868	2013-08-27	cif/ Adding structures of 4080894, 4080895, 4080896, 4080897, 4080898, 4080899, 4080900 via cif-deposit CGI script.	4080900.cif