Crystallography Open Database

Information card for entry 4348991

Preview

Coordinates	4348991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H37 Cl N2 O2 Ru
Calculated formula	C31 H37 Cl N2 O2 Ru
SMILES	[Ru]123456([O]=C(c7c(n(nc7C)c7ccccc7)O1)C17CC8CC(C1)CC(C7)C8)(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	9.2504 ± 0.001 Å
b	11.1086 ± 0.0011 Å
c	28.607 ± 0.004 Å
α	90°
β	95.058 ± 0.009°
γ	90°
Cell volume	2928.2 ± 0.6 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1224
Residual factor for significantly intense reflections	0.1063
Weighted residual factors for significantly intense reflections	0.2645
Weighted residual factors for all reflections included in the refinement	0.2721
Goodness-of-fit parameter for all reflections included in the refinement	1.276
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
233531 (current)	2019-11-23	cif/ Adding structures of 4348991 via cif-deposit CGI script.	4348991.cif