Information card for entry 4312834

Structure parameters

• Formula: C22 H26 B Mn N6 O3
• Calculated formula: C22 H26 B Mn N6 O3
• 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: 11.013 ± 0.0018 Å
• b: 11.6451 ± 0.0019 Å
• c: 11.6288 ± 0.0019 Å
• α: 60.555 ± 0.003°
• β: 63.211 ± 0.003°
• γ: 62.917 ± 0.003°
• Cell volume: 1105.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No