Information card for entry 7040109

Structure parameters

• Formula: C51 H29 B F24 Fe N3 Pd0.5
• Calculated formula: C51 H29 B F25.438 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: 13.353 ± 0.0011 Å
• b: 13.7363 ± 0.0012 Å
• c: 14.4942 ± 0.0012 Å
• α: 86.401 ± 0.004°
• β: 83.876 ± 0.005°
• γ: 70.096 ± 0.004°
• Cell volume: 2484.5 ± 0.4 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: 0.0633
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No