Information card for entry 7700830

Structure parameters

• Formula: C142 H126 Br4 Cl4 Ni4 O8 P8
• Calculated formula: C142 H126 Br4 Cl4 Ni4 O8 P8
• 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: 28.0679 ± 0.0015 Å
• b: 21.8228 ± 0.0012 Å
• c: 25.4931 ± 0.0014 Å
• α: 90°
• β: 114.048 ± 0.001°
• γ: 90°
• Cell volume: 14259.7 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• 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: 0.0992
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.2393
• Weighted residual factors for all reflections included in the refinement: 0.2558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No