Information card for entry 1505686

Structure parameters

• Formula: C34 H52 Cl4 N4 Ru2
• Calculated formula: C34 H52 Cl4 N4 Ru2
• SMILES: [Ru]12345(Cl)(Cl)(Cl)[c]6([cH]4[cH]2[c]5([cH]3[cH]16)C)C(C)C.[Ru]12345(Cl)([n]6cn(CCCC)cc6)([n]6ccn(c6)CCCC)[c]6([cH]2[cH]3[c]1([cH]5[cH]46)C(C)C)C
• Title of publication: Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes.
• Authors of publication: Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J.
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2006
• Journal volume: 49
• Journal issue: 18
• Pages of publication: 5552 - 5561
• a: 12.4321 ± 0.001 Å
• b: 12.9605 ± 0.0011 Å
• c: 13.0867 ± 0.0013 Å
• α: 90.149 ± 0.008°
• β: 117.791 ± 0.006°
• γ: 90.948 ± 0.006°
• Cell volume: 1865 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No