Information card for entry 1505683

Structure parameters

• Common name: (p-Cym)Ru(N-ImMe)2Cl.H2O
• Formula: C18 H28 Cl2 N4 O Ru
• Calculated formula: C18 H28 Cl2 N4 O Ru
• SMILES: [Ru]12345(Cl)([n]6ccn(c6)C)([n]6ccn(c6)C)[cH]6[c]1(C(C)C)[cH]5[cH]3[c]2(C)[cH]46.[Cl-].O
• 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: 7.8903 ± 0.0006 Å
• b: 9.5995 ± 0.0003 Å
• c: 14.1039 ± 0.0005 Å
• α: 78.964 ± 0.003°
• β: 87.859 ± 0.004°
• γ: 86.905 ± 0.004°
• Cell volume: 1046.59 ± 0.09 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No