Information card for entry 7026201

Structure parameters

• Formula: C49 H84 Cl3 Ir N3 P Si
• Calculated formula: C49 H70 Cl3 Ir N3 P Si
• SMILES: [IrH]1(Cl)([P](c2c([N]1(C)C)ccc(c2)C)(C1CCCCC1)C1CCCCC1)([SiH2]c1c(cc(cc1C(C)C)C(C)C)C(C)C)[n]1ccc(N(C)C)cc1.ClCCl.CCCCC
• 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: 11.7958 ± 0.0007 Å
• b: 12.279 ± 0.0007 Å
• c: 18.9266 ± 0.0008 Å
• α: 104.795 ± 0.003°
• β: 99.527 ± 0.004°
• γ: 92.1081 ± 0.0015°
• Cell volume: 2604.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No