Crystallography Open Database

Information card for entry 7045090

Preview

Coordinates	7045090.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H33 Cl N2 O2 Ru
Calculated formula	C33 H33 Cl N2 O2 Ru
SMILES	[Ru]123456(Cl)(Oc7n(nc(c7C(=[O]1)c1cccc7ccccc17)C)c1ccccc1)[c]1([c]2([c]3([c]4([c]5([c]61C)C)C)C)C)C
Title of publication	Synthesis, characterization and cytotoxicity of arene-ruthenium(ii) complexes with acylpyrazolones functionalized with aromatic groups in the acyl moiety.
Authors of publication	Marchetti, Fabio; Pettinari, Riccardo; Di Nicola, Corrado; Pettinari, Claudio; Palmucci, Jessica; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustín; Dyson, Paul J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	3
Pages of publication	868 - 878
a	13.815 ± 0.002 Å
b	15.2054 ± 0.0013 Å
c	29.897 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	6280.2 ± 1.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1419
Residual factor for significantly intense reflections	0.1083
Weighted residual factors for significantly intense reflections	0.2212
Weighted residual factors for all reflections included in the refinement	0.2338
Goodness-of-fit parameter for all reflections included in the refinement	1.26
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
230064 (current)	2019-11-17	cif/ Updating files of 7045087, 7045088, 7045089, 7045090, 7045091 Original log message: Adding full bibliography for 7045087--7045091.cif.	7045090.cif
204384	2017-12-20	cif/ Adding structures of 7045087, 7045088, 7045089, 7045090, 7045091 via cif-deposit CGI script.	7045090.cif