Crystallography Open Database

Information card for entry 4104936

Preview

Coordinates	4104936.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 Au N3 P
Calculated formula	C24 H19 Au N3 P
SMILES	[Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)n1nnc2c1cccc2
Title of publication	Triazole-Au(I) Complexes: A New Class of Catalysts with Improved Thermal Stability and Reactivity for Intermolecular Alkyne Hydroamination
Authors of publication	Haifeng Duan; Sujata Sengupta; Jeffrey L. Petersen; Novruz G. Akhmedov; Xiaodong Shi
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	12100 - 12102
a	9.3892 ± 0.0006 Å
b	10.1178 ± 0.0007 Å
c	22.411 ± 0.0016 Å
α	90°
β	94.508 ± 0.001°
γ	90°
Cell volume	2122.4 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0356
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0849
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
178795 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/49.	4104936.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104936.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104936.cif
30059	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 4104936 via cif-deposit CGI script.	4104936.cif