Crystallography Open Database

Information card for entry 7117981

Preview

Coordinates	7117981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 Au B2 N O5
Calculated formula	C30 H32 Au B2 N O5
SMILES	[Au]12(c3c(c4[n]2cccc4)ccc(c3)C)OB(OB(O1)c1ccc(OC(C)C)cc1)c1ccc(OC(C)C)cc1
Title of publication	Cyclometalated (boroxinato)gold(III) complexes from arrested transmetalation
Authors of publication	Amberle R. Browne; Nihal Deligonul; Bryce L. Anderson; Matthias Zeller; Allen D. Hunter; Thomas G. Gray
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	15800
a	16.224 ± 0.002 Å
b	13.4035 ± 0.0019 Å
c	13.0086 ± 0.0018 Å
α	90°
β	98.365 ± 0.003°
γ	90°
Cell volume	2798.7 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0692
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.0993
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
169746 (current)	2015-10-26	cif/ Adding structures of 7117981, 7117982, 7117983, 7117984 via cif-deposit CGI script.	7117981.cif