Crystallography Open Database

Information card for entry 7044372

Preview

Coordinates	7044372.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 Cl I N2 Pt
Calculated formula	C12 H16 Cl I N2 Pt
SMILES	[Pt]12(c3c(C=[N]1CCC[N]2(C)C)ccc(Cl)c3)I
Title of publication	Synthesis, characterisation and biological activity of new cyclometallated platinum(IV) iodido complexes
Authors of publication	Bauer, Emma; Domingo, Xavier; Balcells, Cristina; Polat, Ibrahim; Crespo, Margarita; Quirante, Josefina; Badia, Josefa; Baldomà, Laura; Font-Bardia, Merce; Cascante, Marta
Journal of publication	Dalton Trans.
Year of publication	2017
a	8.4203 ± 0.0004 Å
b	19.0185 ± 0.0011 Å
c	9.2913 ± 0.0005 Å
α	90°
β	109.344 ± 0.002°
γ	90°
Cell volume	1403.92 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0256
Residual factor for significantly intense reflections	0.0191
Weighted residual factors for significantly intense reflections	0.0372
Weighted residual factors for all reflections included in the refinement	0.039
Goodness-of-fit parameter for all reflections included in the refinement	1.125
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
201543 (current)	2017-09-30	cif/ Adding structures of 7044372, 7044373, 7044374 via cif-deposit CGI script.	7044372.cif