Information card for entry 7040110

Structure parameters

• Formula: C53 B0.5 Cl2 F0.5 Fe0.5 N14 Pd2.5
• Calculated formula: C56 B F21 Fe N3 Pd0.5
• Title of publication: Novel pyrazolylphosphite- and pyrazolylphosphinite-ruthenium(ii) complexes as catalysts for hydrogenation of acetophenone.
• Authors of publication: Amenuvor, Gershon; Obuah, Collins; Nordlander, Ebbe; Darkwa, James
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 34
• Pages of publication: 13514 - 13524
• a: 13.0582 ± 0.0016 Å
• b: 14.0879 ± 0.0017 Å
• c: 15.0938 ± 0.0019 Å
• α: 68.205 ± 0.004°
• β: 82.925 ± 0.004°
• γ: 74.29 ± 0.004°
• Cell volume: 2481.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2521
• Residual factor for significantly intense reflections: 0.1111
• Weighted residual factors for significantly intense reflections: 0.2776
• Weighted residual factors for all reflections included in the refinement: 0.3722
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No