Information card for entry 1505684

Structure parameters

• Common name: [Ru(p-cymene)(bimid)2Cl]Cl
• Formula: C24 H38 Cl2 N4 Ru
• Calculated formula: C24 H38 Cl2 N4 Ru
• SMILES: [Ru]12345(Cl)([n]6ccn(c6)CCCC)([n]6cn(cc6)CCCC)[cH]6[c]1([cH]2[cH]5[c]4(C)[cH]36)C(C)C.[Cl-]
• 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: 8.563 ± 0.007 Å
• b: 13.044 ± 0.011 Å
• c: 13.243 ± 0.003 Å
• α: 110.87 ± 0.03°
• β: 98.93 ± 0.04°
• γ: 95.91 ± 0.06°
• Cell volume: 1345.2 ± 1.7 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: 0.0803
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.248
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No