Information card for entry 7026192

Structure parameters

• Formula: C46 H57 Cl Ir N P2
• Calculated formula: C46 H57 Cl Ir N P2
• SMILES: [Ir]1(Cl)([P](c2c([N]1(C)C)ccc(c2)C)(C1CCCCC1)C1CCCCC1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.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: 16.45 ± 0.0006 Å
• b: 10.3053 ± 0.0003 Å
• c: 24.0221 ± 0.001 Å
• α: 90°
• β: 93.5386 ± 0.0016°
• γ: 90°
• Cell volume: 4064.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0835
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No