Crystallography Open Database

Information card for entry 4348296

Preview

Coordinates	4348296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16 F6 N2 O6 Pt S2
Calculated formula	C24 H16 F6 N2 O6 Pt S2
SMILES	c12c(cccc1)c1cccc[n]1[Pt]12([n]2c(cccc2)c2c1cccc2)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
Title of publication	Influence of Ancillary Ligands and Isomerism on the Luminescence of Bis-cyclometalated Platinum(IV) Complexes.
Authors of publication	Juliá, Fabio; García-Legaz, María-Dulce; Bautista, Delia; González-Herrero, Pablo
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	15
Pages of publication	7647 - 7660
a	9.7777 ± 0.0009 Å
b	14.5379 ± 0.0013 Å
c	18.5728 ± 0.0019 Å
α	90°
β	103.671 ± 0.003°
γ	90°
Cell volume	2565.3 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0145
Residual factor for significantly intense reflections	0.0132
Weighted residual factors for significantly intense reflections	0.0312
Weighted residual factors for all reflections included in the refinement	0.0316
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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
232867 (current)	2019-11-23	cif/ Adding structures of 4348296, 4348297, 4348298, 4348299, 4348300 via cif-deposit CGI script.	4348296.cif