Crystallography Open Database

Information card for entry 7716336

Preview

Coordinates	7716336.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	6b
Formula	C33 H42 Cu N5
Calculated formula	C33 H42 Cu N5
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	16.4504 ± 0.0011 Å
b	12.4536 ± 0.0008 Å
c	15.0423 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3081.7 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0288
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.062
Weighted residual factors for all reflections included in the refinement	0.0647
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
293045 (current)	2024-07-05	cif/ Updating files of 7716334, 7716335, 7716336, 7716337 Original log message: Adding full bibliography for 7716334--7716337.cif.	7716336.cif
292287	2024-06-12	cif/ Adding structures of 7716334, 7716335, 7716336, 7716337 via cif-deposit CGI script.	7716336.cif