Crystallography Open Database

Information card for entry 4085068

Preview

Coordinates	4085068.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 5.3(THF)
Formula	C94 H133 Au3 N6 O7
Calculated formula	C97 H108 Au3 N6 O4
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	12.4797 ± 0.0009 Å
b	41.783 ± 0.003 Å
c	21.4315 ± 0.0015 Å
α	90°
β	94.201 ± 0.001°
γ	90°
Cell volume	11145.2 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0932
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1778
Weighted residual factors for all reflections included in the refinement	0.1912
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
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.	4085068.cif
154754	2015-09-06	cif/ Updating files of 4085067, 4085068, 4085069 Original log message: Adding full bibliography for 4085067--4085069.cif.	4085068.cif
128978	2014-12-21	cif/ Adding structures of 4085067, 4085068, 4085069 via cif-deposit CGI script.	4085068.cif