Crystallography Open Database

Information card for entry 1540543

Preview

Coordinates	1540543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H98 Au N2 O3.5
Calculated formula	C46 H70 Au N2
Title of publication	Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes
Authors of publication	Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	1
Pages of publication	150
a	20.0066 ± 0.0006 Å
b	16.2975 ± 0.0005 Å
c	20.6068 ± 0.0006 Å
α	90°
β	119.023 ± 0.0014°
γ	90°
Cell volume	5875.3 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
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	0.0566
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1178
Weighted residual factors for all reflections included in the refinement	0.1209
Goodness-of-fit parameter for all reflections included in the refinement	1.154
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
175931 (current)	2016-02-05	cif/ Updating files of 1540542, 1540543, 1540544 Original log message: Adding full bibliography for 1540542--1540544.cif.	1540543.cif
170346	2015-11-17	cif/ Adding structures of 1540542, 1540543, 1540544 via cif-deposit CGI script.	1540543.cif