Information card for entry 7026198

Structure parameters

• Formula: C31 H64 Cl Ir N P Si4
• Calculated formula: C31 H58 Cl Ir N P Si4
• SMILES: [Ir]12([P](c3c([N]2(C)C)ccc(c3)C)(C2CCCCC2)C2CCCCC2)[Si](Cl)(C([Si](C)(C)C)([Si](C)(C)C)[Si]1(C)(C))C
• 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: 11.5618 ± 0.0003 Å
• b: 18.3157 ± 0.0004 Å
• c: 17.975 ± 0.0005 Å
• α: 90°
• β: 96.0413 ± 0.0011°
• γ: 90°
• Cell volume: 3785.29 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1082
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.1751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.298
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No