Information card for entry 7034854

Structure parameters

• Common name: 4c in manuscript
• Formula: C31 H54 Ni O2 P2
• Calculated formula: C31 H54 Ni O2 P2
• Title of publication: Investigations on the catalytic carboxylation of olefins with CO2 towards α,β-unsaturated carboxylic acid salts: characterization of intermediates and ligands as well as substrate effects.
• Authors of publication: Jevtovikj, Ivana; Manzini, Simone; Hanauer, Matthias; Rominger, Frank; Schaub, Thomas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 24
• Pages of publication: 11083 - 11094
• a: 31.6368 ± 0.0016 Å
• b: 21.6435 ± 0.0012 Å
• c: 9.1291 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6251 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1209
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.1969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No