Crystallography Open Database

Information card for entry 7716334

Preview

Coordinates	7716334.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H42 Au N5 O
Calculated formula	C33 H42 Au N5 O
Title of publication	Synthesis of N-heterocyclic carbene (NHC)-Au/Ag/Cu benzotriazolyl complexes and their catalytic activity in propargylamide cycloisomerization and carbonyl hydrosilylation reactions.
Authors of publication	Kaplanai, Entzy; Tzouras, Nikolaos V.; Tsoureas, Nikolaos; Bracho Pozsoni, Nestor; Bhandary, Subhrajyoti; Van Hecke, Kristof; Nolan, Steven P.; Vougioukalakis, Georgios C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	26
Pages of publication	11001 - 11008
a	8.179 ± 0.0002 Å
b	9.1789 ± 0.0002 Å
c	21.4433 ± 0.0004 Å
α	86.47 ± 0.002°
β	79.752 ± 0.002°
γ	77.217 ± 0.002°
Cell volume	1544.48 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0638
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1401
Weighted residual factors for all reflections included in the refinement	0.1452
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
293045 (current)	2024-07-05	cif/ Updating files of 7716334, 7716335, 7716336, 7716337 Original log message: Adding full bibliography for 7716334--7716337.cif.	7716334.cif
292287	2024-06-12	cif/ Adding structures of 7716334, 7716335, 7716336, 7716337 via cif-deposit CGI script.	7716334.cif