Information card for entry 7020601

Structure parameters

• Formula: C20 H20 Cl Ir O3
• Calculated formula: C20 H20 Cl Ir O3
• SMILES: [Ir]12345(Cl)([O]=C6c7c(cccc7)C(=O)C=C6O1)[c]1([c]5([c]4([c]3([c]21C)C)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: 26.532 ± 0.003 Å
• b: 8.419 ± 0.0011 Å
• c: 16.576 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3702.6 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No