Crystallography Open Database

Information card for entry 7045087

Preview

Coordinates	7045087.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H27 Cl N2 O2 Ru
Calculated formula	C27 H27 Cl N2 O2 Ru
SMILES	[Ru]123456([O]=C(c7c(n(c8ccccc8)nc7C)O1)c1ccccc1)(Cl)[cH]1[c]3(C(C)C)[cH]4[cH]2[c]5([cH]61)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	16.4494 ± 0.0007 Å
b	8.1443 ± 0.0002 Å
c	17.6939 ± 0.0008 Å
α	90°
β	92.101 ± 0.003°
γ	90°
Cell volume	2368.84 ± 0.16 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 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	0.0291
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0499
Weighted residual factors for all reflections included in the refinement	0.0517
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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.	7045087.cif
204384	2017-12-20	cif/ Adding structures of 7045087, 7045088, 7045089, 7045090, 7045091 via cif-deposit CGI script.	7045087.cif