Crystallography Open Database

Information card for entry 7044373

Preview

Coordinates	7044373.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H19 Cl I2 N2 Pt
Calculated formula	C13 H19 Cl I2 N2 Pt
SMILES	[Pt]12(I)(I)([N](=Cc3c2cc(Cl)cc3)CCC[N]1(C)C)C
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	8.5459 ± 0.0004 Å
b	14.1617 ± 0.0007 Å
c	14.8385 ± 0.0007 Å
α	80.425 ± 0.002°
β	76.333 ± 0.002°
γ	86.586 ± 0.002°
Cell volume	1720.28 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0204
Residual factor for significantly intense reflections	0.017
Weighted residual factors for significantly intense reflections	0.0345
Weighted residual factors for all reflections included in the refinement	0.0353
Goodness-of-fit parameter for all reflections included in the refinement	1.13
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.	7044373.cif