Information card for entry 1575234

Structure parameters

• Formula: C28 H26 Cl5 N2 Ni O2 P
• Calculated formula: C28 H26 Cl5 N2 Ni O2 P
• Title of publication: Multifunctional PNN-NiII pincer catalyst for C–C and C–N bond formation via alkylation, cross-coupling, and hydroamination reactions
• Authors of publication: Sabharwal, Gazal; Dwivedi, Khilesh C.; Balakrishna, Maravanji S.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 18
• Pages of publication: 5275 - 5284
• a: 10.5132 ± 0.0006 Å
• b: 10.9249 ± 0.0006 Å
• c: 14.5672 ± 0.0009 Å
• α: 107.373 ± 0.005°
• β: 107.332 ± 0.005°
• γ: 95.323 ± 0.005°
• Cell volume: 1493.66 ± 0.17 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No