Information card for entry 7026146

Structure parameters

• Formula: C39 H59 Ir N2 Si
• Calculated formula: C39 H55 Ir N2 Si
• SMILES: C1(=C)C=C(C)N(c2c(cccc2C(C)C)C(C)C)[Si](=[Ir]2345[c]6([c]5([c]4([c]3([c]26C)C)C)C)C)N1c1c(cccc1C(C)C)C(C)C
• Title of publication: Addition of [(eta(5)-C(5)Me(5))IrH(4)] to a zwitterionic silylene: stepwise formation of iridium(V)-silyl and iridium(III)-silylene complexes.
• Authors of publication: Jungton, Ann-Katrin; Meltzer, Antje; Präsang, Carsten; Braun, Thomas; Driess, Matthias; Penner, Anna
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 23
• Pages of publication: 5436 - 5438
• a: 18.1058 ± 0.0004 Å
• b: 11.9735 ± 0.0003 Å
• c: 16.776 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3636.87 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No