Crystallography Open Database

Information card for entry 7117983

Preview

Coordinates	7117983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28.5 H25 Au B2 Cl N O3
Calculated formula	C28.5 H25 Au B2 Cl N O3
SMILES	[Au]12(c3c(c4[n]2cccc4)ccc(c3)C)OB(OB(O1)c1ccc(cc1)C=C)c1ccc(cc1)C=C.ClCCl
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	8.007 ± 0.004 Å
b	17.734 ± 0.008 Å
c	20.141 ± 0.01 Å
α	66.28 ± 0.006°
β	89.959 ± 0.007°
γ	77.147 ± 0.007°
Cell volume	2540 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1191
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1531
Weighted residual factors for all reflections included in the refinement	0.1796
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
192220 (current)	2017-02-17	cif/7 Fixing Z values and formulae	7117983.cif
169746	2015-10-26	cif/ Adding structures of 7117981, 7117982, 7117983, 7117984 via cif-deposit CGI script.	7117983.cif