Crystallography Open Database

Information card for entry 4089076

Preview

Coordinates	4089076.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H35 Cl O3 Ru
Calculated formula	C30 H35 Cl O3 Ru
SMILES	[Ru]123456(Cl)(OC(=CC(=[O]1)c1ccc(cc1)C(C)(C)C)c1ccc(OC)cc1)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C
Title of publication	From Sunscreen to Anticancer Agent: Ruthenium(II) Arene Avobenzone Complexes Display Potent Anticancer Activity
Authors of publication	Pettinari, Riccardo; Marchetti, Fabio; Petrini, Agnese; Pettinari, Claudio; Lupidi, Giulio; Smoleński, Piotr; Scopelliti, Rosario; Riedel, Tina; Dyson, Paul J.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	21
Pages of publication	3734
a	8.5895 ± 0.0012 Å
b	10.1957 ± 0.0008 Å
c	16.2215 ± 0.0016 Å
α	75.318 ± 0.007°
β	76.184 ± 0.008°
γ	80.418 ± 0.009°
Cell volume	1326 ± 0.3 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	0.0903
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1164
Weighted residual factors for all reflections included in the refinement	0.1323
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
237967 (current)	2019-11-24	cif/ Adding structures of 4089076 via cif-deposit CGI script.	4089076.cif