Crystallography Open Database

Information card for entry 4075613

Preview

Coordinates	4075613.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H34 Cl3 N4 O15 P Pt
Calculated formula	C38 H34 Cl3 N4 O15 P Pt
SMILES	[Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(c1c(N(=O)=O)c(OC)c(OC)c(OC)c1N(=O)=O)c1c(N(=O)=O)c(OC)c(OC)c(OC)c1N(=O)=O.C(Cl)(Cl)Cl
Title of publication	Bis(2,6-dinitroaryl)platinum(II) Complexes. Cis/Trans Isomerization†
Authors of publication	Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	18
Pages of publication	4247
a	9.9072 ± 0.0008 Å
b	40.753 ± 0.003 Å
c	10.6809 ± 0.0008 Å
α	90°
β	103.874 ± 0.003°
γ	90°
Cell volume	4186.6 ± 0.6 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.0877
Weighted residual factors for all reflections included in the refinement	0.0897
Goodness-of-fit parameter for all reflections included in the refinement	1.226
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
178645 (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 4/07/56.	4075613.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075613.cif
49352	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075613 via cif-deposit CGI script.	4075613.cif