Crystallography Open Database

Information card for entry 4348866

Preview

Coordinates	4348866.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	dpg49re228
Formula	C21 H10 Au B Cl4 F6 N6 Pb
Calculated formula	C21 H10 Au B Cl4 F6 N6 Pb
SMILES	c1(c(c(c(c(c1F)Cl)F)Cl)F)[Au](c1c(c(c(c(c1F)Cl)F)Cl)F)[Pb]12[n]3cccn3[BH](n3ccc[n]13)n1ccc[n]21
Title of publication	New Insights into the Au(I)···Pb(II) Closed-Shell Interaction: Tuning of the Emissive Properties with the Intermetallic Distance.
Authors of publication	Echeverría, Raquel; López-de-Luzuriaga, José M; Monge, Miguel; Moreno, Sonia; Olmos, M. Elena
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	20
Pages of publication	10523 - 10534
a	26.1538 ± 0.0012 Å
b	15.0817 ± 0.0007 Å
c	18.841 ± 0.0008 Å
α	90°
β	132.819 ± 0.002°
γ	90°
Cell volume	5451.2 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
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	0.0854
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.0844
Weighted residual factors for all reflections included in the refinement	0.098
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation probe	x-ray
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
233443 (current)	2019-11-23	cif/ Adding structures of 4348866 via cif-deposit CGI script.	4348866.cif