Crystallography Open Database

Information card for entry 7120991

7120990 << 7120991 >> 7120992

Preview

Coordinates	7120991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H20 Au3 B2 Br3 F12 N12 Pb
Calculated formula	C36 H20 Au3 B2 Br3 F12 N12 Pb
SMILES	[Au](c1c(Br)c(F)c(c(c1F)F)F)[n]1cccn1[BH](n1ccc[n]1[Au]c1c(c(c(c(c1Br)F)F)F)F)n1ccc[n]1[Au]c1c(c(c(c(c1Br)F)F)F)F.[BH]12n3[n]([Pb]([n]4n1ccc4)[n]1n2ccc1)ccc3
Title of publication	Lead encapsulation by a golden clamp through multiple electrostatic, metallophilic, hydrogen bonding and weak interactions.
Authors of publication	Echeverría, Raquel; López-de-Luzuriaga, José M; Monge, Miguel; Moreno, Sonia; Olmos, M. Elena; Rodríguez-Castillo, María
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	3
Pages of publication	295 - 298
a	13.2426 ± 0.0002 Å
b	13.2426 ± 0.0002 Å
c	35.7164 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	5424.31 ± 0.17 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	8
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0861
Weighted residual factors for all reflections included in the refinement	0.0953
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
228607 (current)	2019-11-17	cif/ Updating files of 7120991, 7120992 Original log message: Adding full bibliography for 7120991--7120992.cif.	7120991.cif
204268	2017-12-15	cif/ Adding structures of 7120991, 7120992 via cif-deposit CGI script.	7120991.cif