Information card for entry 4331087

Structure parameters

• Formula: C34 H45 Cl F2 N3 O7 P Ru
• Calculated formula: C34 H45 Cl F2 N3 O7 P Ru
• Title of publication: Rational Design of Selective Organoruthenium Inhibitors of Protein Tyrosine Phosphatase 1B
• Authors of publication: Jun Xiang Ong; Chun Wei Yap; Wee Han Ang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12483 - 12492
• a: 10.653 ± 0.003 Å
• b: 12.504 ± 0.003 Å
• c: 14.449 ± 0.004 Å
• α: 101.457 ± 0.004°
• β: 101.362 ± 0.004°
• γ: 92.915 ± 0.004°
• Cell volume: 1841.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No