Information card for entry 7026190

Structure parameters

• Formula: C21 H34 N P
• Calculated formula: C21 H34 N P
• SMILES: P(c1c(N(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: 9.2587 ± 0.0004 Å
• b: 11.4129 ± 0.0004 Å
• c: 18.1566 ± 0.0008 Å
• α: 90°
• β: 91.1041 ± 0.0013°
• γ: 90°
• Cell volume: 1918.23 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No