Information card for entry 7008009

Structure parameters

• Formula: C35 H31 B2 Cl F4 N7 O P Ru
• Calculated formula: C35 H31 B2 Cl F4 N7 O P Ru
• SMILES: [Ru]12(Cl)(N=O)([n]3n(ccc3)[BH](n3[n]1ccc3)n1[n]2ccc1)/C=C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Regioselective nucleophilic addition of triphenylphosphine to the nitrosylruthenium alkynyl complexes having a hydrotris(pyrazol-1-yl)borate: formation of phosphonio-alkenyl, alkynyl, and allenyl species.
• Authors of publication: Nishimura, Yoshimasa; Arikawa, Yasuhiro; Inoue, Takanori; Onishi, Masayoshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 5
• Pages of publication: 930 - 937
• a: 19.641 ± 0.002 Å
• b: 10.1468 ± 0.0007 Å
• c: 20.1828 ± 0.0004 Å
• α: 90°
• β: 112.386 ± 0.0005°
• γ: 90°
• Cell volume: 3719.2 ± 0.5 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No