Crystallography Open Database

Information card for entry 4072498

Preview

Coordinates	4072498.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H23 Au N3 P
Calculated formula	C27 H23 Au N3 P
SMILES	[Au](c1c(c2ccc(cc2)C)[nH]nn1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Carbon−Gold Bond Formation through [3 + 2] Cycloaddition Reactions of Gold(I) Azides and Terminal Alkynes
Authors of publication	Partyka, David V.; Updegraff, James B.; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	1
Pages of publication	183
a	13.7355 ± 0.0005 Å
b	13.7355 ± 0.0005 Å
c	12.5315 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2364.2 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	78
Hermann-Mauguin space group symbol	P 43
Hall space group symbol	P 4cw
Residual factor for all reflections	0.0334
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0805
Weighted residual factors for all reflections included in the refinement	0.0815
Goodness-of-fit parameter for all reflections included in the refinement	1.144
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
178613 (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 4/07/24.	4072498.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4072498.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072498.cif
45847	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4072495, 4072496, 4072497, 4072498 via cif-deposit CGI script.	4072498.cif