Information card for entry 7120767

Structure parameters

• Formula: C22 H27 Cl9 Ir N5 Pt
• Calculated formula: C22 H27 Cl9 Ir N5 Pt
• SMILES: c1cc[n]2c3c4c(cnc([n]4[Pt]2(Cl)Cl)N(C)C)[Ir]2456([c]7([c]6([c]5([c]4([c]27C)C)C)C)C)([n]13)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: A direct access to heterobimetallic complexes by roll-over cyclometallation
• Authors of publication: Schön, Florian; Leist, Marko; Neuba, Adam; Lang, Johannes; Braun, Carolin; Sun, Yu; Niedner-Schatterburg, Gereon; Braese, Stefan; Thiel, Werner R.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 8.7625 ± 0.0007 Å
• b: 13.8954 ± 0.001 Å
• c: 14.7185 ± 0.001 Å
• α: 66.417 ± 0.007°
• β: 79.935 ± 0.006°
• γ: 85.543 ± 0.006°
• Cell volume: 1617.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.1095
• Weighted residual factors for significantly intense reflections: 0.2854
• Weighted residual factors for all reflections included in the refinement: 0.2927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.379
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No