Information card for entry 7718240

Structure parameters

• Formula: C60 H46 Ni O4 P2
• Calculated formula: C60 H46 Ni O4 P2
• Title of publication: Low-coordinate bis-phosphine and monophosphine Ni(0) complexes: synthesis and reactivity in C-S cross-coupling.
• Authors of publication: Martín, M Trinidad; Carrasco, Carlos J.; Santamaría, Nazaret; Maya, Celia; Prieto, Auxiliadora; Galindo, Agustín; Nicasio, M. Carmen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 2645 - 2653
• a: 11.9594 ± 0.0003 Å
• b: 29.1507 ± 0.0007 Å
• c: 13.3094 ± 0.0003 Å
• α: 90°
• β: 93.941 ± 0.001°
• γ: 90°
• Cell volume: 4629.02 ± 0.19 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No