Information card for entry 4089548

Structure parameters

• Formula: C128 H188 F12 Ni2 O13 P6 S4
• Calculated formula: C128 H188 F12 Ni2 O13 P6 S4
• Title of publication: Intramolecular Arene C-H to C-P Functionalization Mediated by Ni(II) and Pd(II).
• Authors of publication: Suseno, Sandy; Agapie, Theodor
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 11
• Pages of publication: 3161
• a: 15.2622 ± 0.0007 Å
• b: 20.3413 ± 0.0009 Å
• c: 23.527 ± 0.001 Å
• α: 90°
• β: 103.125 ± 0.002°
• γ: 90°
• Cell volume: 7113.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.1647
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No