Information card for entry 7026195

Structure parameters

• Formula: C51 H86 Cl2 Ir2 N2 P2 Si
• Calculated formula: C51 Cl2 Ir2 N2 P2 Si
• SMILES: [Ir]123([Ir]4([Cl]1)([P](c1c([N]4(C)C)ccc(c1)C)(C1CCCCC1)C1CCCCC1)[Si]2(Cl)c1c(cc(cc1C)C)C)[P](c1c([N]3(C)C)ccc(c1)C)(C1CCCCC1)C1CCCCC1
• Title of publication: Synthesis of η(2)-cyclooctene iridium and rhodium complexes supported by a novel P,N-chelate ligand and their reactivity toward hydrosilanes: facile Cl migration from metal to silicon via silylene complex intermediates and formation of a base-stabilised silylene complex.
• Authors of publication: Hashimoto, Hisako; Suzuki, Toshinori; Tobita, Hiromi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 39
• Pages of publication: 9386 - 9400
• a: 14.6736 ± 0.0009 Å
• b: 10.0455 ± 0.0007 Å
• c: 19.8282 ± 0.0014 Å
• α: 90°
• β: 108.567 ± 0.003°
• γ: 90°
• Cell volume: 2770.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1278
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.206
• Weighted residual factors for all reflections included in the refinement: 0.2353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No