Crystallography Open Database

Information card for entry 4085067

Preview

Coordinates	4085067.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 4.C6H6
Formula	C60 H78 Au2 N4 O2
Calculated formula	C60 H74 Au2.04 N4 O2
Title of publication	Reactivity of Gold Hydrides: O2 Insertion into the Au-H Bond.
Authors of publication	Roşca, Dragoş-Adrian; Fernandez-Cestau, Julio; Hughes, David L.; Bochmann, Manfred
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	11
Pages of publication	2098 - 2101
a	15.3438 ± 0.0011 Å
b	19.525 ± 0.0014 Å
c	19.6769 ± 0.0014 Å
α	90°
β	92.122 ± 0.005°
γ	90°
Cell volume	5890.9 ± 0.7 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0775
Residual factor for significantly intense reflections	0.076
Weighted residual factors for significantly intense reflections	0.1764
Weighted residual factors for all reflections included in the refinement	0.1768
Goodness-of-fit parameter for all reflections included in the refinement	1.288
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178739 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/50.	4085067.cif
154754	2015-09-06	cif/ Updating files of 4085067, 4085068, 4085069 Original log message: Adding full bibliography for 4085067--4085069.cif.	4085067.cif
128978	2014-12-21	cif/ Adding structures of 4085067, 4085068, 4085069 via cif-deposit CGI script.	4085067.cif