Crystallography Open Database

Information card for entry 4120749

4120748 << 4120749 >> 4120750

Preview

Coordinates	4120749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H40 Au B F4 N3 P
Calculated formula	C39 H40 Au B F4 N3 P
Title of publication	Carbene Transfer from Triazolylidene Gold Complexes as a Potent Strategy for Inducing High Catalytic Activity
Authors of publication	Daniel Canseco-Gonzalez; Ana Petronilho; Helge Müller-Bunz; Kohsuke Ohmatsu; Takashi Ooi; Martin Albrecht
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	13193 - 13203
a	15.1192 ± 0.0003 Å
b	15.2115 ± 0.0003 Å
c	19.2224 ± 0.0004 Å
α	74.047 ± 0.002°
β	67.294 ± 0.002°
γ	65.027 ± 0.002°
Cell volume	3663.72 ± 0.15 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	0.0328
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.045
Weighted residual factors for all reflections included in the refinement	0.0482
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
178984 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/07.	4120749.cif
106854	2014-03-17	cif/ Adding structures of 4120749 via cif-deposit CGI script.	4120749.cif