Information card for entry 1575235

Structure parameters

• Formula: C25 H21 N2 O2 P
• Calculated formula: C25 H21 N2 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: 9.2533 ± 0.0002 Å
• b: 14.3859 ± 0.0003 Å
• c: 15.5532 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2070.4 ± 0.08 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No