Crystallography Open Database

Information card for entry 4342864

Preview

Coordinates	4342864.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	compound 4
Formula	C48 H41 Mo2 N O5 P2 Pt S
Calculated formula	C48 H41 Mo2 N O5 P2 Pt S
SMILES	[Pt]123([Mo]4567(C2=O)(C3=O)(C#[O])[cH]2[cH]4[cH]5[cH]6[cH]72)([S](CCN2[P]1([Mo]1345([P]2(c2ccccc2)c2ccccc2)(C#[O])(C#[O])[cH]2[cH]3[cH]5[cH]4[cH]12)c1ccccc1)Cc1ccccc1)c1ccccc1
Title of publication	Sulfur-Assisted Phenyl Migration from Phosphorus to Platinum in PtW2 and PtMo2 Clusters Containing Thioether-Functionalized Short-Bite Ligands of the Bis(diphenylphosphanyl)amine-Type.
Authors of publication	Todisco, Stefano; Mastrorilli, Piero; Latronico, Mario; Gallo, Vito; Englert, Ulli; Re, Nazzareno; Creati, Francesco; Braunstein, Pierre
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	10
Pages of publication	4777 - 4798
a	8.9112 ± 0.0009 Å
b	12.4727 ± 0.0013 Å
c	20.138 ± 0.002 Å
α	87.646 ± 0.002°
β	87.333 ± 0.002°
γ	80.118 ± 0.002°
Cell volume	2201.4 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0584
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0602
Weighted residual factors for all reflections included in the refinement	0.0644
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
138104 (current)	2015-06-05	cif/ Updating files of 4342864, 4342865 Original log message: Adding full bibliography for 4342864--4342865.cif.	4342864.cif
136717	2015-05-18	cif/ Adding structures of 4342864, 4342865 via cif-deposit CGI script.	4342864.cif