Crystallography Open Database

Information card for entry 1517520

Preview

Coordinates	1517520.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H22 Br2 Cl2 F6 N6 Pt2 S2
Calculated formula	C37 H22 Br2 Cl2 F6 N6 Pt2 S2
SMILES	[Pt]123([Pt]4(Br)(Sc5[n]2ccc(n5)C(F)(F)F)([n]2cccc5ccc6cccc4c6c25)[n]2c(S1)nc(cc2)C(F)(F)F)(Br)[n]1cccc2ccc4cccc3c4c12.ClCCl
Title of publication	Half-Lantern Pt(II) and Pt(III) Complexes. New Cyclometalated Platinum Derivatives
Authors of publication	Sicilia, Violeta; Borja, Pilar; Martín, Antonio
Journal of publication	Inorganics
Year of publication	2014
Journal volume	2
Journal issue	3
Pages of publication	508
a	11.4798 ± 0.0002 Å
b	11.8668 ± 0.0002 Å
c	14.4711 ± 0.0003 Å
α	88.942 ± 0.002°
β	81.111 ± 0.002°
γ	78.41 ± 0.002°
Cell volume	1907.82 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0277
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.0516
Weighted residual factors for all reflections included in the refinement	0.0534
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517520.cif
123161	2014-09-06	cif/ Adding structures of 1517519, 1517520 via cif-deposit CGI script.	1517520.cif