Information card for entry 7040590

Structure parameters

• Formula: C21 H35 Cl2 N2 O3 P Ru
• Calculated formula: C21 H35 Cl2 N2 O3 P Ru
• SMILES: [Ru]12345(Cl)(Cl)([P](OCC)(OCCn6nc(cc6C)C)OCC)[c]6([cH]4[cH]5[c]1([cH]2[cH]36)C(C)C)C
• 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: 7.2138 ± 0.0007 Å
• b: 9.8265 ± 0.0011 Å
• c: 19.515 ± 0.002 Å
• α: 75.471 ± 0.003°
• β: 89.027 ± 0.004°
• γ: 69.116 ± 0.003°
• Cell volume: 1247.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0737
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No