Information card for entry 7026197

Structure parameters

• Formula: C33 H58 Cl Ir N O P Si2
• Calculated formula: C33 H58 Cl Ir N O P Si2
• SMILES: [IrH]12(Cl)([P](c3c([N]2(C)C)ccc(c3)C)(C2CCCCC2)C2CCCCC2)[Si](O(C)[Si]1(C)C)(C)C.c1(ccccc1)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: 12.0805 ± 0.0005 Å
• b: 16.3211 ± 0.0008 Å
• c: 18.1653 ± 0.0008 Å
• α: 90°
• β: 92.365 ± 0.002°
• γ: 90°
• Cell volume: 3578.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.1221
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No