Information card for entry 7042104

Structure parameters

• Common name: fac,cis-[RuII(CO)3Cl2(DMBI)]
• Formula: C12 H10 Cl2 N2 O3 Ru
• Calculated formula: C12 H10 Cl2 N2 O3 Ru
• SMILES: [Ru](Cl)([n]1c[nH]c2cc(c(cc12)C)C)(C#[O])(C#[O])(Cl)C#[O]
• Title of publication: {Ru(CO)x}-Core complexes with benzimidazole ligands: synthesis, X-ray structure and evaluation of anticancer activity in vivo.
• Authors of publication: Tamasi, Gabriella; Merlino, Antonello; Scaletti, Federica; Heffeter, Petra; Legin, Anton A.; Jakupec, Michael A.; Berger, Walter; Messori, Luigi; Keppler, Bernhard K.; Cini, Renzo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 9
• Pages of publication: 3025 - 3040
• a: 10.4194 ± 0.0003 Å
• b: 10.4212 ± 0.0004 Å
• c: 14.712 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1597.47 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No