Information card for entry 7008013

Structure parameters

• Formula: C61 H52 B3 F8 N7 O P2 Ru
• Calculated formula: C61 H52 B3 F8 N7 O P2 Ru
• SMILES: [Ru]12(N=O)([n]3n(ccc3)[BH](n3[n]1ccc3)n1[n]2ccc1)(/C=C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccc1)/C=C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccc1.[B](F)(F)(F)[F-].[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: 11.51 ± 0.001 Å
• b: 13.549 ± 0.003 Å
• c: 18.814 ± 0.003 Å
• α: 99.134 ± 0.003°
• β: 97.113 ± 0.001°
• γ: 93.996 ± 0.001°
• Cell volume: 2862.5 ± 0.8 ų
• Cell temperature: 297.2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No