Crystallography Open Database

Information card for entry 4120750

4120749 << 4120750 >> 4120751

Preview

Coordinates	4120750.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C156 H195.67 Au4 Cl5.58 I1.58 N24 O1.83
Calculated formula	C156 H194 Au4 Cl5.583 I1.583 N24 O1.834
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	32.3325 ± 0.0003 Å
b	16.0148 ± 0.0001 Å
c	17.1142 ± 0.0002 Å
α	90°
β	116.831 ± 0.001°
γ	90°
Cell volume	7907.67 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0266
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0668
Weighted residual factors for all reflections included in the refinement	0.0679
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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.	4120750.cif
106855	2014-03-17	cif/ Adding structures of 4120750 via cif-deposit CGI script.	4120750.cif