Crystallography Open Database

Information card for entry 4335788

Preview

Coordinates	4335788.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H27 Au N3 P
Calculated formula	C25 H27 Au N3 P
SMILES	[Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1[nH]nnc1CCCCC
Title of publication	Azido, Triazolyl, and Alkynyl Complexes of Gold(I): Syntheses, Structures, and Ligand Effects
Authors of publication	Thomas J. Robilotto; Nihal Deligonul; James B. Updegraff; Thomas G. Gray
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	9659 - 9668
a	12.7141 ± 0.0003 Å
b	12.5924 ± 0.0003 Å
c	14.5253 ± 0.0003 Å
α	90°
β	97.465 ± 0.001°
γ	90°
Cell volume	2305.81 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0174
Residual factor for significantly intense reflections	0.016
Weighted residual factors for significantly intense reflections	0.0337
Weighted residual factors for all reflections included in the refinement	0.0341
Goodness-of-fit parameter for all reflections included in the refinement	0.982
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4335788.cif
101740	2014-02-18	cif/ Adding structures of 4335788 via cif-deposit CGI script.	4335788.cif