Crystallography Open Database

Information card for entry 1543934

Preview

Coordinates	1543934.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tris(3,5-diisopropyl-1,2,4-triazolato-N,N)-tri-gold(I)
Formula	C24 H42 Au3 N9
Calculated formula	C24 H42 Au3 N9
Title of publication	Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure
Authors of publication	Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R.
Journal of publication	IUCrJ
Year of publication	2016
Journal volume	3
Journal issue	5
a	23.3195 ± 0.001 Å
b	13.5632 ± 0.0007 Å
c	18.951 ± 0.003 Å
α	90°
β	122.188 ± 0.007°
γ	90°
Cell volume	5072.7 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0996
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1463
Weighted residual factors for all reflections included in the refinement	0.2107
Goodness-of-fit parameter for all reflections included in the refinement	1.133
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
185884 (current)	2016-08-19	cif/ Adding structures of 1543918, 1543919, 1543920, 1543921, 1543922, 1543923, 1543924, 1543925, 1543926, 1543927, 1543928, 1543929, 1543930, 1543931, 1543932, 1543933, 1543934 via cif-deposit CGI script.	1543934.cif