Crystallography Open Database

Information card for entry 1518469

Preview

Coordinates	1518469.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H10 Au B Cl10 N6 Pb
Calculated formula	C21 H10 Au B Cl10 N6 Pb
SMILES	[Pb]12[n]3n([BH](n4[n]1ccc4)n1[n]2ccc1)ccc3.[Au](c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl
Title of publication	The gold(i)⋯lead(ii) interaction: a relativistic connection
Authors of publication	Echeverría, Raquel; López-de-Luzuriaga, José M.; Monge, Miguel; Olmos, M. Elena
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	3
Pages of publication	2022
a	8.5794 ± 0.0004 Å
b	13.7444 ± 0.001 Å
c	13.7913 ± 0.001 Å
α	110.805 ± 0.002°
β	93.371 ± 0.004°
γ	101.13 ± 0.004°
Cell volume	1477.17 ± 0.17 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0714
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0628
Weighted residual factors for all reflections included in the refinement	0.0707
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518469.cif
133118	2015-03-06	cif/ Updating files of 1518469 Original log message: Adding full bibliography for 1518469.cif.	1518469.cif
129006	2014-12-23	cif/ Adding structures of 1518469 via cif-deposit CGI script.	1518469.cif