Information card for entry 2243623

Structure parameters

• Common name: 2,6-Bis(3,5-di-<i>p</i>-tolylpyrrol-2-yl)pyridine
• Chemical name: 2,6-Bis[3,5-bis(4-methylphenyl)pyrrol-2-yl]pyridine
• Formula: C41 H35 N3
• Calculated formula: C41 H35 N3
• SMILES: [nH]1c(cc(c1c1nc(ccc1)c1[nH]c(cc1c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Nickel(II) carbonyl, ammonia, and acetonitrile complexes supported by a pyridine dipyrrolide pincer ligand
• Authors of publication: Dias, H. V. Rasika; Pramanik, Abhijit
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 11
• Pages of publication: 1741 - 1747
• a: 14.894 ± 0.0015 Å
• b: 35.155 ± 0.004 Å
• c: 5.9513 ± 0.0006 Å
• α: 90°
• β: 100.987 ± 0.002°
• γ: 90°
• Cell volume: 3059 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• 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: 0.1194
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1635
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes