Crystallography Open Database

Information card for entry 4348990

Preview

Coordinates	4348990.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H57 Cl N2 O2 Ru
Calculated formula	C38 H57 Cl N2 O2 Ru
SMILES	[Ru]123456([O]=C(c7c(n(nc7C)c7ccccc7)O1)CCCCCCCCCCCCCCCCC)(Cl)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C
Title of publication	Synthesis, Structure, and Anticancer Activity of Arene-Ruthenium(II) Complexes with Acylpyrazolones Bearing Aliphatic Groups in the Acyl Moiety.
Authors of publication	Palmucci, Jessica; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustin; Dyson, Paul J.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	22
Pages of publication	11770 - 11781
a	20.928 ± 0.003 Å
b	7.9023 ± 0.0005 Å
c	22.882 ± 0.003 Å
α	90°
β	104.601 ± 0.01°
γ	90°
Cell volume	3662 ± 0.8 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
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	0.1295
Residual factor for significantly intense reflections	0.0811
Weighted residual factors for significantly intense reflections	0.172
Weighted residual factors for all reflections included in the refinement	0.1984
Goodness-of-fit parameter for all reflections included in the refinement	1.131
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
233530 (current)	2019-11-23	cif/ Adding structures of 4348990 via cif-deposit CGI script.	4348990.cif