Crystallography Open Database

Information card for entry 4348986

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Coordinates	4348986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H61 Cl N2 O2 Ru
Calculated formula	C40 H61 Cl N2 O2 Ru
SMILES	[Ru]123456(Cl)(Oc7n(nc(c7C(=[O]1)CCCCCCCCCCCCCCCCC)C)c1ccccc1)[c]1([c]2([c]3([c]4([c]5([c]61C)C)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	8.4672 ± 0.0015 Å
b	18.162 ± 0.003 Å
c	24.837 ± 0.003 Å
α	89.319 ± 0.011°
β	80.413 ± 0.011°
γ	81.5 ± 0.011°
Cell volume	3724.4 ± 1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1313
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.0899
Weighted residual factors for all reflections included in the refinement	0.1113
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
233528 (current)	2019-11-23	cif/ Adding structures of 4348986 via cif-deposit CGI script.	4348986.cif