Information card for entry 7020600

Structure parameters

• Formula: C26 H27 Cl F N O Ru
• Calculated formula: C26 H27 Cl F N O Ru
• SMILES: [Ru]123456(N(C(=CC(=[O]1)c1cccc(F)c1)C)c1ccccc1)(Cl)[cH]1[cH]4[c]2([cH]6[cH]5[c]31C(C)C)C
• Title of publication: Synthesis of iridium and ruthenium complexes with (N,N), (N,O) and (O,O) coordinating bidentate ligands as potential anti-cancer agents.
• Authors of publication: Lucas, Stephanie J.; Lord, Rianne M.; Wilson, Rachel L.; Phillips, Roger M.; Sridharan, Visuvanathar; McGowan, Patrick C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 45
• Pages of publication: 13800 - 13802
• a: 9.841 ± 0.0005 Å
• b: 10.4805 ± 0.0006 Å
• c: 12.3289 ± 0.0007 Å
• α: 100.643 ± 0.002°
• β: 102.502 ± 0.002°
• γ: 104.424 ± 0.002°
• Cell volume: 1163.39 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0328
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No