Information card for entry 7059701

Structure parameters

• Formula: C37 H35 F6 Ni O2 P3 S2
• Calculated formula: C37 H35 F6 Ni O2 P3 S2
• Title of publication: Synthesis and characterization of new square planar heteroleptic cationic complexes [Ni(ii) β-oxodithioester-dppe]+; their use as a catalyst for Chan‒Lam coupling
• Authors of publication: Kumari, Kavita; Kumar, Saurabh; Singh, Krishna Nand; Drew, Michael G. B.; Singh, Nanhai
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 28
• Pages of publication: 12143 - 12153
• a: 10.9357 ± 0.0004 Å
• b: 12.1613 ± 0.0005 Å
• c: 28.0623 ± 0.0012 Å
• α: 90°
• β: 98.931 ± 0.001°
• γ: 90°
• Cell volume: 3686.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No