Crystallography Open Database

Information card for entry 7044374

Preview

Coordinates	7044374.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 Cl2 I2 N2 Pt
Calculated formula	C12 H16 Cl2 I2 N2 Pt
SMILES	[Pt]12(I)(I)(Cl)[N](=Cc3c2cc(Cl)cc3)CCC[N]1(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	16.6399 ± 0.0007 Å
b	7.3056 ± 0.0003 Å
c	14.1494 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1720.06 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0224
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0554
Weighted residual factors for all reflections included in the refinement	0.0556
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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.	7044374.cif