Information card for entry 4312835

Structure parameters

• Formula: C33 H46 B F6 N8 P Ru
• Calculated formula: C33 H46 B F6 N8 P Ru
• SMILES: [Ru]1234567([c]8([cH]5[cH]4[c]3([cH]2[cH]18)C(C)C)C)[n]1n(ccc1)[B](n1[n]6ccc1)(n1[n]7ccc1)[C@H]1[C@@H]([C@@H]2C([C@H](C1)C2)(C)C)C.[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC
• Title of publication: A Chiral Alkyltris(pyrazolyl)borate Ligand: Synthesis of [(Ipc)B(pz)3Mn(CO)3] and [(Ipc)B(pz)3Ru(p-cymene)]PF6 (Ipc = Isopinocampheyl)
• Authors of publication: Philip J. Bailey; Pedro Pinho; Simon Parsons
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8872 - 8877
• a: 10.4974 ± 0.0014 Å
• b: 14.713 ± 0.002 Å
• c: 23.296 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3598 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No