Crystallography Open Database

Information card for entry 4079031

Preview

Coordinates	4079031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H38 Au F3 N2 O
Calculated formula	C32 H42 Au F3 N2 O2
Title of publication	Oxygen-Bound Trifluoromethoxide Complexes of Copper and Gold
Authors of publication	Zhang, Cheng-Pan; Vicic, David A.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	22
Pages of publication	7812
a	10.874 ± 0.002 Å
b	15.942 ± 0.003 Å
c	19.558 ± 0.004 Å
α	90°
β	98.592 ± 0.007°
γ	90°
Cell volume	3352.4 ± 1.1 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for all reflections included in the refinement	0.0726
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178679 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/90.	4079031.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079031.cif
72288	2013-01-21	cif/ Adding structures of 4079031, 4079032, 4079033 via cif-deposit CGI script.	4079031.cif