Information card for entry 7706196

Structure parameters

• Formula: C19 H23 Cl Ir N O
• Calculated formula: C19 H23 Cl Ir N O
• SMILES: C12c3ccccc3[Ir]3456([c]7([c]3([c]4([c]5([c]67C)C)C)C)C)(Cl)[N]=1CCO2
• Title of publication: Insights into the antiproliferative mechanism of (C^N)-chelated half-sandwich iridium complexes.
• Authors of publication: Ramos, Robin; Zimbron, Jérémy M; Thorimbert, Serge; Chamoreau, Lise-Marie; Munier, Annie; Botuha, Candice; Karaiskou, Anthi; Salmain, Michèle; Sobczak-Thépot, Joëlle
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 48
• Pages of publication: 17635 - 17641
• a: 10.2639 ± 0.0003 Å
• b: 13.4056 ± 0.0003 Å
• c: 13.9884 ± 0.0004 Å
• α: 90°
• β: 110.553 ± 0.001°
• γ: 90°
• Cell volume: 1802.2 ± 0.08 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0161
• Residual factor for significantly intense reflections: 0.0149
• Weighted residual factors for significantly intense reflections: 0.0337
• Weighted residual factors for all reflections included in the refinement: 0.0341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No