Crystallography Open Database

Information card for entry 4074275

Preview

Coordinates	4074275.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H13 Cl3 N2 O Pt
Calculated formula	C13 H13 Cl3 N2 O Pt
SMILES	[Pt]1(Cl)(Cl)(Cl)([n]2ccccc2c2[n]1cccc2)CC(=O)C
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	6.7239 ± 0.0008 Å
b	10.6002 ± 0.0007 Å
c	11.6152 ± 0.0011 Å
α	92.998 ± 0.006°
β	105.748 ± 0.009°
γ	106.808 ± 0.006°
Cell volume	755.03 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0273
Residual factor for significantly intense reflections	0.0237
Weighted residual factors for significantly intense reflections	0.0578
Weighted residual factors for all reflections included in the refinement	0.0585
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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.	4074275.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074275.cif
48280	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4074275 via cif-deposit CGI script.	4074275.cif