Information card for entry 7160203

Structure parameters

• Formula: C58 H44 N4
• Calculated formula: C58 H44 N4
• Title of publication: An NNN Pd(II) pincer complex with 1,1-diaminoazine: a versatile catalyst for acceptorless dehydrogenative coupling reactions.
• Authors of publication: Wani, Aabid A.; Bhujbal, Shivkanya Madhavrao; Sherpa, Deekey; Kathuria, Deepika; Chourasiya, Sumit S.; Sahoo, Subash C.; Bharatam, Prasad V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 2
• Pages of publication: 343 - 351
• a: 9.5849 ± 0.0005 Å
• b: 17.057 ± 0.0007 Å
• c: 26.146 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4274.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.1614
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No