Crystallography Open Database

Information card for entry 7709428

Preview

Coordinates	7709428.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36.5 H46 Au Cl N4
Calculated formula	C36.5 H46 Au Cl N4
SMILES	[Au](n1cnc2c1cc(c(c2)C)C)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.ClCCl
Title of publication	A simple synthetic entryway into new families of NHC-gold-amido complexes and their in vitro antitumor activity
Authors of publication	Nolan, Steven P.; Martynova, Ekaterina A.; Van Hecke, Kristof; Rizzolio, Flavio; Peng, Min; Cavarzenari, Enrico; Scattolin, Thomas
Journal of publication	Dalton Transactions
Year of publication	2022
a	14.2796 ± 0.0002 Å
b	18.0093 ± 0.0002 Å
c	28.1639 ± 0.0004 Å
α	90°
β	99.631 ± 0.001°
γ	90°
Cell volume	7140.7 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0819
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1236
Weighted residual factors for all reflections included in the refinement	0.1403
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
295862 (current)	2024-11-09	cif/7: Fixing Z values and formulae	7709428.cif
272800	2022-02-05	cif/ Adding structures of 7709428, 7709429, 7709430, 7709431, 7709432, 7709433 via cif-deposit CGI script.	7709428.cif