Information card for entry 7700831

Structure parameters

• Formula: C140 H124 Br4 O8 P8 Pd4
• Calculated formula: C140 H124 Br4 O8 P8 Pd4
• Title of publication: Synthesis of tetra-pincer nickel(ii) and palladium(ii) complexes of resorcin[4]arene-octophosphinite [Res(OPR₂)₈] and rhodium-catalyzed regioselective hydroformylation reaction.
• Authors of publication: Ananthnag, Guddekoppa S.; Mondal, Dipanjan; Mague, Joel T.; Balakrishna, Maravanji S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 39
• Pages of publication: 14632 - 14641
• a: 27.9334 ± 0.0007 Å
• b: 21.8518 ± 0.0004 Å
• c: 26.0254 ± 0.0005 Å
• α: 90°
• β: 114.212 ± 0.001°
• γ: 90°
• Cell volume: 14488.4 ± 0.5 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1502
• Residual factor for significantly intense reflections: 0.0889
• Weighted residual factors for significantly intense reflections: 0.2276
• Weighted residual factors for all reflections included in the refinement: 0.274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No