Crystallography Open Database

Information card for entry 4072635

Preview

Coordinates	4072635.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 Cl2 F6 N2 Pt
Calculated formula	C20 H18 Cl2 F6 N2 Pt
SMILES	[Pt]1([N](=C(C(=[N]1c1c(cccc1C)C)C(F)(F)F)C(F)(F)F)c1c(cccc1C)C)(Cl)Cl
Title of publication	Synthesis and Structural Characterization of a Fluorinated α-Diimine Platinum(II) Complex
Authors of publication	Lersch, Martin; Krivokapic, Alexander; Tilset, Mats
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	7
Pages of publication	1581
a	8.3808 ± 0.0002 Å
b	12.9274 ± 0.0002 Å
c	19.9372 ± 0.0004 Å
α	90°
β	100.822 ± 0.001°
γ	90°
Cell volume	2121.62 ± 0.07 Å³
Cell temperature	105 K
Ambient diffraction temperature	105 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	0.0332
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for all reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0264
Weighted residual factors for all reflections included in the refinement	0.0264
Goodness-of-fit parameter for all reflections included in the refinement	1.0891
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4072635.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4072635.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072635.cif
45924	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4072635 via cif-deposit CGI script.	4072635.cif