Crystallography Open Database

Information card for entry 4074274

Preview

Coordinates	4074274.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H32 F3 N3 O6 Pt S
Calculated formula	C25 H32 F3 N3 O6 Pt S
SMILES	[Pt]1([n]2ccccc2c2[n]1cccc2)(CC(=O)C)(CC(=O)C)(CC(=O)C)C#[N]C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]
Title of publication	The First Family of Platinum(IV) Acetonyl Complexes. Mono-, Bis-, and Tris(acetonyl) Derivatives†
Authors of publication	Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	18
Pages of publication	4404
a	10.7533 ± 0.0006 Å
b	11.5279 ± 0.0006 Å
c	12.4871 ± 0.0007 Å
α	89.267 ± 0.002°
β	72.36 ± 0.002°
γ	78.155 ± 0.002°
Cell volume	1441.71 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0316
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0706
Weighted residual factors for all reflections included in the refinement	0.0713
Goodness-of-fit parameter for all reflections included in the refinement	1.134
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
178631 (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 4/07/42.	4074274.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074274.cif
48279	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4074274 via cif-deposit CGI script.	4074274.cif