Information card for entry 1506891

Structure parameters

• Formula: C31.25 H29.25 Cl8.75 N5 O4 Ru S2
• Calculated formula: C31.0613 H28.865 Cl8.184 N5 O4 Ru S2
• Title of publication: Ruthenium complexes as protein kinase inhibitors.
• Authors of publication: Zhang, Lilu; Carroll, Patrick; Meggers, Eric
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 521 - 523
• a: 31.901 ± 0.0019 Å
• b: 31.901 ± 0.0019 Å
• c: 15.8767 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16157.3 ± 1.6 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No