Information card for entry 4338012

Structure parameters

• Common name: (p-cymene)Ru(Q-Me-Me-Napht)Cl
• Chemical name: [1,3-dimethyl-4-naphthylcarbonyl-pyrazolon-5-ato](eta-6-p-cymene) ruthenium(II)chloro]
• Formula: C26 H29 Cl N2 O3 Ru
• Calculated formula: C26 H27 Cl N2 O3 Ru
• Title of publication: Synthesis, Characterization, and Antitumor Activity of Water-Soluble (Arene)ruthenium(II) Derivatives of 1,3-Dimethyl-4-acylpyrazolon-5-ato Ligands. First Example of Ru(arene)(ligand) Antitumor Species Involving Simultaneous Ru-N7(guanine) Bonding and Ligand Intercalation to DNA.
• Authors of publication: Caruso, Francesco; Monti, Elena; Matthews, Julian; Rossi, Miriam; Gariboldi, Marzia Bruna; Pettinari, Claudio; Pettinari, Riccardo; Marchetti, Fabio
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3668
• a: 9.6986 ± 0.0004 Å
• b: 20.227 ± 0.0008 Å
• c: 13.1742 ± 0.0005 Å
• α: 90°
• β: 102.788 ± 0.001°
• γ: 90°
• Cell volume: 2520.33 ± 0.17 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.0522
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No