Information card for entry 1505024

Structure parameters

• Common name: p-CymRuCl2(anthraimid)
• Formula: C68 H58 B Cl N4 Ru
• Calculated formula: C68 H58 B Cl N4 Ru
• SMILES: [Ru]12345(Cl)([n]6cn(cc6)c6c7ccccc7cc7ccccc67)([n]6cn(cc6)c6c7ccccc7cc7ccccc67)[c]6([cH]5[cH]4[c]3([cH]2[cH]16)C)C(C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Development of ruthenium antitumor drugs that overcome multidrug resistance mechanisms.
• Authors of publication: Vock, Carsten A.; Ang, Wee Han; Scolaro, Claudine; Phillips, Andrew D.; Lagopoulos, Lucienne; Juillerat-Jeanneret, Lucienne; Sava, Gianni; Scopelliti, Rosario; Dyson, Paul J.
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2007
• Journal volume: 50
• Journal issue: 9
• Pages of publication: 2166 - 2175
• a: 10.6994 ± 0.0005 Å
• b: 29.8522 ± 0.0017 Å
• c: 18.8571 ± 0.001 Å
• α: 90°
• β: 116.835 ± 0.004°
• γ: 90°
• Cell volume: 5374.4 ± 0.5 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: 0.1149
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections included in the refinement: 0.0491
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No