Information card for entry 7135816

Structure parameters

• Formula: C42 H59 Al N2 O2
• Calculated formula: C42 H59 Al N2 O2
• Title of publication: N-Heterocyclic Olefin-Based Dianionic [OArCH2NHOArO]2- and Neutral [MeOArCH2NHOArOMe] O,C,O’-Pincer Ligands.
• Authors of publication: Goswami, Santu; Sarkar, Subham; Chakraborty, Akash; Mandal, Chhotan; Panda, Sourav; Mallick, Dibyendu; Mukherjee, Debabrata
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 12.415 ± 0.0002 Å
• b: 16.7769 ± 0.0003 Å
• c: 19.327 ± 0.0003 Å
• α: 90°
• β: 103.195 ± 0.002°
• γ: 90°
• Cell volume: 3919.25 ± 0.12 ų
• Cell temperature: 105 ± 8 K
• Ambient diffraction temperature: 105 ± 8 K
• Number of distinct elements: 5
• 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: 0.0799
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.1938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No