Information card for entry 1505685

Structure parameters

• Formula: C18 H24 B2 F8 N6 Ru
• Calculated formula: C18 H24 B2 F8 N6 Ru
• SMILES: [Ru]12345([n]6ccn(c6)C)([n]6ccn(c6)C)([n]6cn(cc6)C)[cH]6[cH]4[cH]1[cH]5[cH]3[cH]26.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• 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: 8.4268 ± 0.0004 Å
• b: 13.5307 ± 0.0008 Å
• c: 19.9593 ± 0.0011 Å
• α: 90°
• β: 91.305 ± 0.004°
• γ: 90°
• Cell volume: 2275.2 ± 0.2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No