Information card for entry 4108714

Structure parameters

• Formula: C39 H36 Cl F N6 O7 Ru
• Calculated formula: C39 H36 Cl F N6 O7 Ru
• SMILES: c12c3c4cc(c[n]3[Ru]3(C#[O])(n2c2c(c1c1c4C(=O)NC1=O)cc(cc2)O)([n]1cc(ccc1C=[N]3c1ccccc1)N)Cl)F.C(=O)(C)C.C(=O)(C)C.C(=O)(C)C
• Title of publication: Targeting Large Kinase Active Site with Rigid, Bulky Octahedral Ruthenium Complexes
• Authors of publication: Jasna Maksimoska; Li Feng; Klaus Harms; Chunling Yi; Joseph Kissil; Ronen Marmorstein; Eric Meggers
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 15764 - 15765
• a: 7.6625 ± 0.0003 Å
• b: 15.8593 ± 0.0006 Å
• c: 15.9895 ± 0.0005 Å
• α: 101.764 ± 0.003°
• β: 92.604 ± 0.003°
• γ: 96.27 ± 0.003°
• Cell volume: 1886.3 ± 0.12 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No